2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide

C15H22N2O — CID 81361527

IUPAC2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc([C@H](C)NC(=O)CNCC2CC2)c1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-14(8-11)12(2)17-15(18)10-16-9-13-6-7-13/h3-5,8,12-13,16H,6-7,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyMQRIVWLDJRZZGF-LBPRGKRZSA-N
MW246.35 g/mol
LogP2.17
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide

2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide (PubChem CID 81361527) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
PubChem CID81361527
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc([C@H](C)NC(=O)CNCC2CC2)c1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-14(8-11)12(2)17-15(18)10-16-9-13-6-7-13/h3-5,8,12-13,16H,6-7,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyMQRIVWLDJRZZGF-LBPRGKRZSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119706579
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81361448
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
4-[[(1R)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 81363109
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81361298

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide (CID 81361527) is 2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide is Cc1cccc([C@H](C)NC(=O)CNCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide?
The InChIKey is MQRIVWLDJRZZGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-3-5-14(8-11)12(2)17-15(18)10-16-9-13-6-7-13/h3-5,8,12-13,16H,6-7,9-10H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide?
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 81361527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).