4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119776410

IUPAC4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCC(C(=O)NC1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2.ClH/c17-10-14(11-4-2-1-3-5-11)16(21)19-13-8-6-12(7-9-13)15(18)20;/h1-5,12-14H,6-10,17H2,(H2,18,20)(H,19,21);1H
InChIKeyBLJATMAEAJWPAK-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.31
Rot. Bonds5

About 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride

4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119776410) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119776410
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NCC(C(=O)NC1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2.ClH/c17-10-14(11-4-2-1-3-5-11)16(21)19-13-8-6-12(7-9-13)15(18)20;/h1-5,12-14H,6-10,17H2,(H2,18,20)(H,19,21);1H
InChIKeyBLJATMAEAJWPAK-UHFFFAOYSA-N
XLogP1.31
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738179
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119738180
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
3-amino-N-(1,1-dioxothiolan-3-yl)-2-phenylpropanamide;hydrochloride
CID 119670194
3-amino-N-(3-methylcyclobutyl)-2-phenylpropanamide
CID 113266937
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
3-amino-N-(oxolan-3-yl)-2-phenylpropanamide
CID 80717092
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700127
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
CID 119699916
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide
CID 106186177

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride (CID 119776410) is 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride is Cl.NCC(C(=O)NC1CCC(C(N)=O)CC1)c1ccccc1.
What is the InChIKey of 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is BLJATMAEAJWPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-10-14(11-4-2-1-3-5-11)16(21)19-13-8-6-12(7-9-13)15(18)20;/h1-5,12-14H,6-10,17H2,(H2,18,20)(H,19,21);1H.
What are the key properties of 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride?
4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119776410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).