2-hydroxy-4-(nonylamino)-4-phenylbutanamide

C19H32N2O2 — CID 70399961

IUPAC2-hydroxy-4-(nonylamino)-4-phenylbutanamide
SMILESCCCCCCCCCNC(CC(O)C(N)=O)c1ccccc1
InChIInChI=1S/C19H32N2O2/c1-2-3-4-5-6-7-11-14-21-17(15-18(22)19(20)23)16-12-9-8-10-13-16/h8-10,12-13,17-18,21-22H,2-7,11,14-15H2,1H3,(H2,20,23)
InChIKeyMHCZPNOYKKLDBS-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.30
Rot. Bonds13

About 2-hydroxy-4-(nonylamino)-4-phenylbutanamide

2-hydroxy-4-(nonylamino)-4-phenylbutanamide (PubChem CID 70399961) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-hydroxy-4-(nonylamino)-4-phenylbutanamide.

Molecular Properties

Compound Name2-hydroxy-4-(nonylamino)-4-phenylbutanamide
PubChem CID70399961
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name2-hydroxy-4-(nonylamino)-4-phenylbutanamide
SMILESCCCCCCCCCNC(CC(O)C(N)=O)c1ccccc1
InChIInChI=1S/C19H32N2O2/c1-2-3-4-5-6-7-11-14-21-17(15-18(22)19(20)23)16-12-9-8-10-13-16/h8-10,12-13,17-18,21-22H,2-7,11,14-15H2,1H3,(H2,20,23)
InChIKeyMHCZPNOYKKLDBS-UHFFFAOYSA-N
XLogP3.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.30
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

N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-pentyl-1-phenyldecan-1-amine
CID 10380274
5-(1-phenylpropylamino)pentanamide
CID 103529788
2-(butylamino)-2-phenylacetamide
CID 14569005
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
N-benzhydryldecan-1-amine
CID 57251579
3-phenyl-3-(propylamino)propanamide
CID 65235689
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(nonylamino)-4-phenylbutanamide?
The IUPAC name of 2-hydroxy-4-(nonylamino)-4-phenylbutanamide (CID 70399961) is 2-hydroxy-4-(nonylamino)-4-phenylbutanamide.
What is the SMILES notation for 2-hydroxy-4-(nonylamino)-4-phenylbutanamide?
The canonical SMILES for 2-hydroxy-4-(nonylamino)-4-phenylbutanamide is CCCCCCCCCNC(CC(O)C(N)=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-4-(nonylamino)-4-phenylbutanamide?
The InChIKey is MHCZPNOYKKLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-2-3-4-5-6-7-11-14-21-17(15-18(22)19(20)23)16-12-9-8-10-13-16/h8-10,12-13,17-18,21-22H,2-7,11,14-15H2,1H3,(H2,20,23).
What are the key properties of 2-hydroxy-4-(nonylamino)-4-phenylbutanamide?
2-hydroxy-4-(nonylamino)-4-phenylbutanamide has a molecular weight of 320.48 g/mol, XLogP of 3.30, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(nonylamino)-4-phenylbutanamide is sourced from PubChem (CID 70399961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).