N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide

C32H56N2O4 — CID 91594365

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide
SMILESCOCCCOc1cc(CCCCCCC(C(=O)NCC(C)(C)C(N)=O)(C(C)C)C(C)C)ccc1C(C)C
InChIInChI=1S/C32H56N2O4/c1-23(2)27-17-16-26(21-28(27)38-20-14-19-37-9)15-12-10-11-13-18-32(24(3)4,25(5)6)30(36)34-22-31(7,8)29(33)35/h16-17,21,23-25H,10-15,18-20,22H2,1-9H3,(H2,33,35)(H,34,36)
InChIKeyQUWXCUYPOLJOTK-UHFFFAOYSA-N
MW532.81 g/mol
LogP6.64
Rot. Bonds19

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide (PubChem CID 91594365) has the molecular formula C32H56N2O4 and a molecular weight of 532.81 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide
PubChem CID91594365
Molecular FormulaC32H56N2O4
Molecular Weight532.81 g/mol
Exact Mass532.42
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide
SMILESCOCCCOc1cc(CCCCCCC(C(=O)NCC(C)(C)C(N)=O)(C(C)C)C(C)C)ccc1C(C)C
InChIInChI=1S/C32H56N2O4/c1-23(2)27-17-16-26(21-28(27)38-20-14-19-37-9)15-12-10-11-13-18-32(24(3)4,25(5)6)30(36)34-22-31(7,8)29(33)35/h16-17,21,23-25H,10-15,18-20,22H2,1-9H3,(H2,33,35)(H,34,36)
InChIKeyQUWXCUYPOLJOTK-UHFFFAOYSA-N
XLogP6.64
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.81
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide
CID 91195500
N-[4-(dimethylamino)-4-oxobutyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide
CID 91519200
(2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide
CID 141057475
(2S,4R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 129164188
8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
CID 141057465
(2R)-N-(3-tert-butylsulfonylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;hydrochloride
CID 172865516
(2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
CID 154511678
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-hydroxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 118752976
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrate
CID 56656057
(2S,4S,5R,7S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-azido-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 139024913
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-azido-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 20725263
(5S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-5-(methoxyamino)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 143364005

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide (CID 91594365) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide is COCCCOc1cc(CCCCCCC(C(=O)NCC(C)(C)C(N)=O)(C(C)C)C(C)C)ccc1C(C)C.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide?
The InChIKey is QUWXCUYPOLJOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O4/c1-23(2)27-17-16-26(21-28(27)38-20-14-19-37-9)15-12-10-11-13-18-32(24(3)4,25(5)6)30(36)34-22-31(7,8)29(33)35/h16-17,21,23-25H,10-15,18-20,22H2,1-9H3,(H2,33,35)(H,34,36).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide has a molecular weight of 532.81 g/mol, XLogP of 6.64, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide is sourced from PubChem (CID 91594365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).