2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide

C17H26N2O2 — CID 65122706

IUPAC2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)NCC1(O)CCCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-16(18,14-9-5-4-6-10-14)15(20)19-13-17(21)11-7-2-3-8-12-17/h4-6,9-10,21H,2-3,7-8,11-13,18H2,1H3,(H,19,20)
InChIKeyRBZABBMACPJMSL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide

2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide (PubChem CID 65122706) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
PubChem CID65122706
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)NCC1(O)CCCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-16(18,14-9-5-4-6-10-14)15(20)19-13-17(21)11-7-2-3-8-12-17/h4-6,9-10,21H,2-3,7-8,11-13,18H2,1H3,(H,19,20)
InChIKeyRBZABBMACPJMSL-UHFFFAOYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114328802
2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
CID 79811142
2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 111446209
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120593131
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-2-cyclopropyl-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 65122341
phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate
CID 65110390
N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
CID 56793427
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-phenylpropanamide
CID 114760630
2-amino-N-[(2-hydroxycyclopentyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590935
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-2-phenylpropanamide
CID 120589210

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide (CID 65122706) is 2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide is CC(N)(C(=O)NCC1(O)CCCCCC1)c1ccccc1.
What is the InChIKey of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide?
The InChIKey is RBZABBMACPJMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(18,14-9-5-4-6-10-14)15(20)19-13-17(21)11-7-2-3-8-12-17/h4-6,9-10,21H,2-3,7-8,11-13,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide?
2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 65122706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).