(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride

C16H25ClN2O — CID 119273120

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
SMILESCC(C)c1ccc(CN(C(=O)[C@H](C)N)C2CC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11(2)14-6-4-13(5-7-14)10-18(15-8-9-15)16(19)12(3)17;/h4-7,11-12,15H,8-10,17H2,1-3H3;1H/t12-;/m0./s1
InChIKeyPUUYWYQYCPNUPK-YDALLXLXSA-N
MW296.84 g/mol
LogP3.07
Rot. Bonds5

About (2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride

(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride (PubChem CID 119273120) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
PubChem CID119273120
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
SMILESCC(C)c1ccc(CN(C(=O)[C@H](C)N)C2CC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11(2)14-6-4-13(5-7-14)10-18(15-8-9-15)16(19)12(3)17;/h4-7,11-12,15H,8-10,17H2,1-3H3;1H/t12-;/m0./s1
InChIKeyPUUYWYQYCPNUPK-YDALLXLXSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
CID 99704867
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 77144541
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide
CID 91660173
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219
(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
CID 61163913
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride (CID 119273120) is (2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride is CC(C)c1ccc(CN(C(=O)[C@H](C)N)C2CC2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is PUUYWYQYCPNUPK-YDALLXLXSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-11(2)14-6-4-13(5-7-14)10-18(15-8-9-15)16(19)12(3)17;/h4-7,11-12,15H,8-10,17H2,1-3H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride?
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.07, 5 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-propan-2-ylphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119273120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).