1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide

C17H26N2O2 — CID 107860983

IUPAC1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)N[C@@H](CO)Cc2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2O2/c18-13-17(9-5-2-6-10-17)16(21)19-15(12-20)11-14-7-3-1-4-8-14/h1,3-4,7-8,15,20H,2,5-6,9-13,18H2,(H,19,21)/t15-/m1/s1
InChIKeyGZXNZRBUHVWYHF-OAHLLOKOSA-N
MW290.41 g/mol
LogP1.62
Rot. Bonds6

About 1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 107860983) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
PubChem CID107860983
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)N[C@@H](CO)Cc2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2O2/c18-13-17(9-5-2-6-10-17)16(21)19-15(12-20)11-14-7-3-1-4-8-14/h1,3-4,7-8,15,20H,2,5-6,9-13,18H2,(H,19,21)/t15-/m1/s1
InChIKeyGZXNZRBUHVWYHF-OAHLLOKOSA-N
XLogP1.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide
CID 115439571
1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
CID 102677400
2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 11682031
1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
CID 63264607
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 115452993
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide
CID 24746259
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81490077

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide (CID 107860983) is 1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide is NCC1(C(=O)N[C@@H](CO)Cc2ccccc2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is GZXNZRBUHVWYHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-13-17(9-5-2-6-10-17)16(21)19-15(12-20)11-14-7-3-1-4-8-14/h1,3-4,7-8,15,20H,2,5-6,9-13,18H2,(H,19,21)/t15-/m1/s1.
What are the key properties of 1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 107860983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).