N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide

C31H54N2O10 — CID 177194400

IUPACN-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)CN)cc1
InChIInChI=1S/C31H54N2O10/c1-28-5-7-29(8-6-28)3-2-4-31(35)33-10-12-37-14-16-39-18-20-41-22-24-43-26-25-42-23-21-40-19-17-38-15-13-36-11-9-30(34)27-32/h5-8H,2-4,9-27,32H2,1H3,(H,33,35)
InChIKeyFUBIIFKPXFSQGS-UHFFFAOYSA-N
MW614.78 g/mol
LogP1.48
Rot. Bonds32

About N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide

N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide (PubChem CID 177194400) has the molecular formula C31H54N2O10 and a molecular weight of 614.78 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide
PubChem CID177194400
Molecular FormulaC31H54N2O10
Molecular Weight614.78 g/mol
Exact Mass614.38
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)CN)cc1
InChIInChI=1S/C31H54N2O10/c1-28-5-7-29(8-6-28)3-2-4-31(35)33-10-12-37-14-16-39-18-20-41-22-24-43-26-25-42-23-21-40-19-17-38-15-13-36-11-9-30(34)27-32/h5-8H,2-4,9-27,32H2,1H3,(H,33,35)
InChIKeyFUBIIFKPXFSQGS-UHFFFAOYSA-N
XLogP1.48
TPSA146.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds32
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.78
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
CID 82354281
N-[2-[2-[2-[[(5S)-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide
CID 163386284
tert-butyl N-[5-formamido-6-[2-[2-[2-[2-[2-[2-[2-[2-[3-[5-[4-(4-methylphenyl)butanoylamino]pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamate
CID 176691727
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
CID 110618477
N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
CID 113271747
N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide
CID 171843476
N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 170400768
N-(3-amino-5-sulfanylpentyl)-4-(4-methylphenyl)butanamide
CID 168749214
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
CID 177221343
potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide
CID 171843475
N-(2-cyclopentylethyl)-4-(4-methylphenyl)butanamide
CID 55774639

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide (CID 177194400) is N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide is Cc1ccc(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)CN)cc1.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide?
The InChIKey is FUBIIFKPXFSQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H54N2O10/c1-28-5-7-29(8-6-28)3-2-4-31(35)33-10-12-37-14-16-39-18-20-41-22-24-43-26-25-42-23-21-40-19-17-38-15-13-36-11-9-30(34)27-32/h5-8H,2-4,9-27,32H2,1H3,(H,33,35).
What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide?
N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide has a molecular weight of 614.78 g/mol, XLogP of 1.48, 32 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 177194400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).