N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride

C14H20ClN3O2 — CID 120506326

IUPACN-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1ccc(NC(=O)C2CC2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9(8-15)16-13(18)11-4-6-12(7-5-11)17-14(19)10-2-3-10;/h4-7,9-10H,2-3,8,15H2,1H3,(H,16,18)(H,17,19);1H/t9-;/m0./s1
InChIKeyHQCTVZJSCUEQQV-FVGYRXGTSA-N
MW297.79 g/mol
LogP1.53
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride (PubChem CID 120506326) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
PubChem CID120506326
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1ccc(NC(=O)C2CC2)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-9(8-15)16-13(18)11-4-6-12(7-5-11)17-14(19)10-2-3-10;/h4-7,9-10H,2-3,8,15H2,1H3,(H,16,18)(H,17,19);1H/t9-;/m0./s1
InChIKeyHQCTVZJSCUEQQV-FVGYRXGTSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119668361
N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119591804
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 106112552
4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24601515
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219053
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
CID 46468865
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145490
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide
CID 55645122

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride (CID 120506326) is N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride is C[C@@H](CN)NC(=O)c1ccc(NC(=O)C2CC2)cc1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The InChIKey is HQCTVZJSCUEQQV-FVGYRXGTSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-9(8-15)16-13(18)11-4-6-12(7-5-11)17-14(19)10-2-3-10;/h4-7,9-10H,2-3,8,15H2,1H3,(H,16,18)(H,17,19);1H/t9-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride is sourced from PubChem (CID 120506326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).