2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide

C24H41N3O4 — CID 143377128

IUPAC2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide
SMILESCCC(C)C(NCCOc1ccccc1CCCNC(=O)CCC(C)(C)O)C(=O)NC
InChIInChI=1S/C24H41N3O4/c1-6-18(2)22(23(29)25-5)27-16-17-31-20-12-8-7-10-19(20)11-9-15-26-21(28)13-14-24(3,4)30/h7-8,10,12,18,22,27,30H,6,9,11,13-17H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyQEVQIUNPKIVPAA-UHFFFAOYSA-N
MW435.61 g/mol
LogP2.42
Rot. Bonds15

About 2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide

2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide (PubChem CID 143377128) has the molecular formula C24H41N3O4 and a molecular weight of 435.61 g/mol. Its IUPAC name is 2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide
PubChem CID143377128
Molecular FormulaC24H41N3O4
Molecular Weight435.61 g/mol
Exact Mass435.31
IUPAC Name2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide
SMILESCCC(C)C(NCCOc1ccccc1CCCNC(=O)CCC(C)(C)O)C(=O)NC
InChIInChI=1S/C24H41N3O4/c1-6-18(2)22(23(29)25-5)27-16-17-31-20-12-8-7-10-19(20)11-9-15-26-21(28)13-14-24(3,4)30/h7-8,10,12,18,22,27,30H,6,9,11,13-17H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyQEVQIUNPKIVPAA-UHFFFAOYSA-N
XLogP2.42
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-methylbenzene;formamide;2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide
CID 143377127
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
4-tert-butyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 99994651
3-[2-(4-chlorobutoxy)phenyl]-N-octadecylpropanamide
CID 18520271
3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100601540
N-[2-(2-benzylphenoxy)ethyl]octadecanamide
CID 17384423
3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 100596903
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
tert-butyl N-[3-[2-[(2R)-butan-2-yl]oxyphenyl]propyl]carbamate
CID 134451823
2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
CID 78760776
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide?
The IUPAC name of 2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide (CID 143377128) is 2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide.
What is the SMILES notation for 2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide?
The canonical SMILES for 2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide is CCC(C)C(NCCOc1ccccc1CCCNC(=O)CCC(C)(C)O)C(=O)NC.
What is the InChIKey of 2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide?
The InChIKey is QEVQIUNPKIVPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O4/c1-6-18(2)22(23(29)25-5)27-16-17-31-20-12-8-7-10-19(20)11-9-15-26-21(28)13-14-24(3,4)30/h7-8,10,12,18,22,27,30H,6,9,11,13-17H2,1-5H3,(H,25,29)(H,26,28).
What are the key properties of 2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide?
2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide has a molecular weight of 435.61 g/mol, XLogP of 2.42, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[3-[(4-hydroxy-4-methylpentanoyl)amino]propyl]phenoxy]ethylamino]-N,3-dimethylpentanamide is sourced from PubChem (CID 143377128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).