1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide

C16H24N4O2 — CID 119334714

IUPAC1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCN(C)C(=O)Nc1cccc(CNC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C16H24N4O2/c1-20(2)15(22)19-13-7-5-6-12(10-13)11-18-14(21)16(17)8-3-4-9-16/h5-7,10H,3-4,8-9,11,17H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIWJOYMZSPLGEIT-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds4

About 1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119334714) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119334714
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCN(C)C(=O)Nc1cccc(CNC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C16H24N4O2/c1-20(2)15(22)19-13-7-5-6-12(10-13)11-18-14(21)16(17)8-3-4-9-16/h5-7,10H,3-4,8-9,11,17H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIWJOYMZSPLGEIT-UHFFFAOYSA-N
XLogP1.67
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
4-(aminomethyl)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120934997
1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide
CID 119287309
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119863121
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743688
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide (CID 119334714) is 1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide is CN(C)C(=O)Nc1cccc(CNC(=O)C2(N)CCCC2)c1.
What is the InChIKey of 1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is IWJOYMZSPLGEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-20(2)15(22)19-13-7-5-6-12(10-13)11-18-14(21)16(17)8-3-4-9-16/h5-7,10H,3-4,8-9,11,17H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119334714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).