2-amino-4-hydroxy-N-(4-octylphenyl)butanamide

C18H30N2O2 — CID 45483181

IUPAC2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
SMILESCCCCCCCCc1ccc(NC(=O)C(N)CCO)cc1
InChIInChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)
InChIKeyQJTVTVAQRCRXSM-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.24
Rot. Bonds11

About 2-amino-4-hydroxy-N-(4-octylphenyl)butanamide

2-amino-4-hydroxy-N-(4-octylphenyl)butanamide (PubChem CID 45483181) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-amino-4-hydroxy-N-(4-octylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
PubChem CID45483181
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
SMILESCCCCCCCCc1ccc(NC(=O)C(N)CCO)cc1
InChIInChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)
InChIKeyQJTVTVAQRCRXSM-UHFFFAOYSA-N
XLogP3.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45254608
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
4-amino-6-hydroxy-1-(4-octylphenyl)hexan-3-one
CID 58507002
(2S,3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 45483299
(3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 70668692
methyl 2-amino-4-(4-octylphenyl)butanoate;hydrochloride
CID 22618877
3-amino-2-methyl-N-(4-pentylphenyl)propanamide
CID 62670377
3-amino-4-(4-octylanilino)butan-1-ol
CID 45256386
3-[4-[[(2S)-2-aminopentanoyl]amino]phenyl]propanoic acid
CID 107570295
(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
CID 79011565
N'-(4-dodecylphenyl)oxamide
CID 118096540
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-N-(4-octylphenyl)butanamide?
The IUPAC name of 2-amino-4-hydroxy-N-(4-octylphenyl)butanamide (CID 45483181) is 2-amino-4-hydroxy-N-(4-octylphenyl)butanamide.
What is the SMILES notation for 2-amino-4-hydroxy-N-(4-octylphenyl)butanamide?
The canonical SMILES for 2-amino-4-hydroxy-N-(4-octylphenyl)butanamide is CCCCCCCCc1ccc(NC(=O)C(N)CCO)cc1.
What is the InChIKey of 2-amino-4-hydroxy-N-(4-octylphenyl)butanamide?
The InChIKey is QJTVTVAQRCRXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22).
What are the key properties of 2-amino-4-hydroxy-N-(4-octylphenyl)butanamide?
2-amino-4-hydroxy-N-(4-octylphenyl)butanamide has a molecular weight of 306.45 g/mol, XLogP of 3.24, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-N-(4-octylphenyl)butanamide is sourced from PubChem (CID 45483181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).