2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide

C17H26N2O — CID 81360813

IUPAC2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide
SMILESCc1cccc([C@@H](C)NC(=O)C2CCCCCC2N)c1
InChIInChI=1S/C17H26N2O/c1-12-7-6-8-14(11-12)13(2)19-17(20)15-9-4-3-5-10-16(15)18/h6-8,11,13,15-16H,3-5,9-10,18H2,1-2H3,(H,19,20)/t13-,15?,16?/m1/s1
InChIKeyRTUWPJNSDQIBEC-IUDNXUCKSA-N
MW274.41 g/mol
LogP3.08
Rot. Bonds3

About 2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide

2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide (PubChem CID 81360813) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide
PubChem CID81360813
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide
SMILESCc1cccc([C@@H](C)NC(=O)C2CCCCCC2N)c1
InChIInChI=1S/C17H26N2O/c1-12-7-6-8-14(11-12)13(2)19-17(20)15-9-4-3-5-10-16(15)18/h6-8,11,13,15-16H,3-5,9-10,18H2,1-2H3,(H,19,20)/t13-,15?,16?/m1/s1
InChIKeyRTUWPJNSDQIBEC-IUDNXUCKSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cycloheptane-1-carboxamide
CID 81366921
2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81360383
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81365382
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81355949
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823129
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81366049
2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376546
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[1-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823175
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81360733
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81363570

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide (CID 81360813) is 2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide is Cc1cccc([C@@H](C)NC(=O)C2CCCCCC2N)c1.
What is the InChIKey of 2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide?
The InChIKey is RTUWPJNSDQIBEC-IUDNXUCKSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-7-6-8-14(11-12)13(2)19-17(20)15-9-4-3-5-10-16(15)18/h6-8,11,13,15-16H,3-5,9-10,18H2,1-2H3,(H,19,20)/t13-,15?,16?/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide?
2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 81360813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).