4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide

C16H23N3O2 — CID 60847300

IUPAC4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-18-15(20)10-11-2-8-14(9-3-11)19-16(21)12-4-6-13(17)7-5-12/h2-3,8-9,12-13H,4-7,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyIXEZEVMHAPJDNK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.43
Rot. Bonds4

About 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide

4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 60847300) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
PubChem CID60847300
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-18-15(20)10-11-2-8-14(9-3-11)19-16(21)12-4-6-13(17)7-5-12/h2-3,8-9,12-13H,4-7,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyIXEZEVMHAPJDNK-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119719008
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648
N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111483440
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860849
4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
CID 167830419
4-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60847128

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide (CID 60847300) is 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide is CNC(=O)Cc1ccc(NC(=O)C2CCC(N)CC2)cc1.
What is the InChIKey of 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is IXEZEVMHAPJDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-15(20)10-11-2-8-14(9-3-11)19-16(21)12-4-6-13(17)7-5-12/h2-3,8-9,12-13H,4-7,10,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide?
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60847300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).