3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119750964

IUPAC3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCC(N)C1)C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(16(21)19-11-13-6-3-2-4-7-13)20-17(22)14-8-5-9-15(18)10-14;/h2-4,6-7,12,14-15H,5,8-11,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyUSVMIIPEEGCUTM-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.75
Rot. Bonds5

About 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119750964) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119750964
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCC(N)C1)C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(16(21)19-11-13-6-3-2-4-7-13)20-17(22)14-8-5-9-15(18)10-14;/h2-4,6-7,12,14-15H,5,8-11,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyUSVMIIPEEGCUTM-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
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CID 110014271
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
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2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182498
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 74246620
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 136527944

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119750964) is 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride is CC(NC(=O)C1CCCC(N)C1)C(=O)NCc1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is USVMIIPEEGCUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12(16(21)19-11-13-6-3-2-4-7-13)20-17(22)14-8-5-9-15(18)10-14;/h2-4,6-7,12,14-15H,5,8-11,18H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119750964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).