(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide

C16H24N2O — CID 97157102

IUPAC(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCNC[C@H](C)C(=O)N(Cc1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-12-4-6-14(7-5-12)11-18(15-8-9-15)16(19)13(2)10-17-3/h4-7,13,15,17H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyHIOVIYZOPHGQBH-ZDUSSCGKSA-N
MW260.38 g/mol
LogP2.34
Rot. Bonds6

About (2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide

(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 97157102) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID97157102
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCNC[C@H](C)C(=O)N(Cc1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-12-4-6-14(7-5-12)11-18(15-8-9-15)16(19)13(2)10-17-3/h4-7,13,15,17H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyHIOVIYZOPHGQBH-ZDUSSCGKSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 80543130
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 76895294
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636
4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid
CID 64890090
N-cyclopentyl-2-methyl-3-(methylamino)-N-(2-phenylethyl)propanamide
CID 119771590
N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide
CID 119806881
(2S,3S)-2-[[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100128
4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993002
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide (CID 97157102) is (2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide is CNC[C@H](C)C(=O)N(Cc1ccc(C)cc1)C1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is HIOVIYZOPHGQBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-4-6-14(7-5-12)11-18(15-8-9-15)16(19)13(2)10-17-3/h4-7,13,15,17H,8-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide?
(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 97157102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).