N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide

C19H29N3O2 — CID 23850194

IUPACN-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide
SMILESCC(=O)Nc1cccc(CN(CCCN)C(=O)C2CCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-15(23)21-18-10-5-7-16(13-18)14-22(12-6-11-20)19(24)17-8-3-2-4-9-17/h5,7,10,13,17H,2-4,6,8-9,11-12,14,20H2,1H3,(H,21,23)
InChIKeyJXNOBMLETFSDAO-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.90
Rot. Bonds7

About N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide

N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide (PubChem CID 23850194) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide
PubChem CID23850194
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide
SMILESCC(=O)Nc1cccc(CN(CCCN)C(=O)C2CCCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-15(23)21-18-10-5-7-16(13-18)14-22(12-6-11-20)19(24)17-8-3-2-4-9-17/h5,7,10,13,17H,2-4,6,8-9,11-12,14,20H2,1H3,(H,21,23)
InChIKeyJXNOBMLETFSDAO-UHFFFAOYSA-N
XLogP2.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide
CID 23931480
N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide
CID 23855130
N-(3-aminopropyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclopropanecarboxamide
CID 23824676
N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
CID 23790905
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055
N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 23880381
N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
CID 43459677
N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
CID 23763521
N-[4-[[3-aminopropyl(cyclohexanecarbonyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 23959457
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
CID 107365878

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide (CID 23850194) is N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide is CC(=O)Nc1cccc(CN(CCCN)C(=O)C2CCCCC2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide?
The InChIKey is JXNOBMLETFSDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(23)21-18-10-5-7-16(13-18)14-22(12-6-11-20)19(24)17-8-3-2-4-9-17/h5,7,10,13,17H,2-4,6,8-9,11-12,14,20H2,1H3,(H,21,23).
What are the key properties of N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide?
N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide is sourced from PubChem (CID 23850194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).