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

C14H20N2O — CID 66568238

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)[C@H](C)N)C2CC2)cc1
InChIInChI=1S/C14H20N2O/c1-10-3-5-12(6-4-10)9-16(13-7-8-13)14(17)11(2)15/h3-6,11,13H,7-9,15H2,1-2H3/t11-/m0/s1
InChIKeyYAABDDSCTSBUNG-NSHDSACASA-N
MW232.33 g/mol
LogP1.83
Rot. Bonds4

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

(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 66568238) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
PubChem CID66568238
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)[C@H](C)N)C2CC2)cc1
InChIInChI=1S/C14H20N2O/c1-10-3-5-12(6-4-10)9-16(13-7-8-13)14(17)11(2)15/h3-6,11,13H,7-9,15H2,1-2H3/t11-/m0/s1
InChIKeyYAABDDSCTSBUNG-NSHDSACASA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 76895294
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 80543130
(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
CID 99704867
4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid
CID 64890090
(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 97157102
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 77144541
2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide
CID 143695976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide (CID 66568238) is (2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CN(C(=O)[C@H](C)N)C2CC2)cc1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is YAABDDSCTSBUNG-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-3-5-12(6-4-10)9-16(13-7-8-13)14(17)11(2)15/h3-6,11,13H,7-9,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide?
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 232.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 66568238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).