3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide

C20H32N2O2 — CID 154868296

IUPAC3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide
SMILESNC(CC(=O)NC(CCO)C1CCCCCC1)Cc1ccccc1
InChIInChI=1S/C20H32N2O2/c21-18(14-16-8-4-3-5-9-16)15-20(24)22-19(12-13-23)17-10-6-1-2-7-11-17/h3-5,8-9,17-19,23H,1-2,6-7,10-15,21H2,(H,22,24)
InChIKeyLAEREMPFFUVCMH-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.78
Rot. Bonds8

About 3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide

3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide (PubChem CID 154868296) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide.

Molecular Properties

Compound Name3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide
PubChem CID154868296
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide
SMILESNC(CC(=O)NC(CCO)C1CCCCCC1)Cc1ccccc1
InChIInChI=1S/C20H32N2O2/c21-18(14-16-8-4-3-5-9-16)15-20(24)22-19(12-13-23)17-10-6-1-2-7-11-17/h3-5,8-9,17-19,23H,1-2,6-7,10-15,21H2,(H,22,24)
InChIKeyLAEREMPFFUVCMH-UHFFFAOYSA-N
XLogP2.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
CID 111383992
(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide
CID 11067759
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
(1-cyclooctyl-2-phenylethyl)hydrazine
CID 105254972
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
1-cyclopentyl-2-phenylethanamine
CID 50988646
benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97169782
N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide
CID 110025916
4-[[(1-cyclohexyl-3-hydroxypropyl)carbamoylamino]methyl]benzoic acid
CID 122020232
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481
N-(1-cyclohexyl-3-hydroxypropyl)-2-(3-methoxyphenoxy)acetamide
CID 75390435

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide?
The IUPAC name of 3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide (CID 154868296) is 3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide.
What is the SMILES notation for 3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide?
The canonical SMILES for 3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide is NC(CC(=O)NC(CCO)C1CCCCCC1)Cc1ccccc1.
What is the InChIKey of 3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide?
The InChIKey is LAEREMPFFUVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c21-18(14-16-8-4-3-5-9-16)15-20(24)22-19(12-13-23)17-10-6-1-2-7-11-17/h3-5,8-9,17-19,23H,1-2,6-7,10-15,21H2,(H,22,24).
What are the key properties of 3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide?
3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide has a molecular weight of 332.49 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide is sourced from PubChem (CID 154868296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).