N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide

C15H21N3O2 — CID 77003917

IUPACN-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H21N3O2/c1-18(10-11-4-2-3-5-11)15(19)13-8-6-12(7-9-13)14(16)17-20/h6-9,11,20H,2-5,10H2,1H3,(H2,16,17)
InChIKeyLBQLYGJUORPVPU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.04
Rot. Bonds4

About N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide

N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide (PubChem CID 77003917) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
PubChem CID77003917
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H21N3O2/c1-18(10-11-4-2-3-5-11)15(19)13-8-6-12(7-9-13)14(16)17-20/h6-9,11,20H,2-5,10H2,1H3,(H2,16,17)
InChIKeyLBQLYGJUORPVPU-UHFFFAOYSA-N
XLogP2.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 54884608
N-(cyclohexylmethyl)-4-hydroxy-N-methylbenzamide
CID 54948596
4-[[cyclohexylmethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904274
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 76912108
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398948
N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 60916634
N-(cyclohexylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 39975112
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 76904321
N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 81062151

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide?
The IUPAC name of N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide (CID 77003917) is N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide is CN(CC1CCCC1)C(=O)c1ccc(C(N)=NO)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide?
The InChIKey is LBQLYGJUORPVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(10-11-4-2-3-5-11)15(19)13-8-6-12(7-9-13)14(16)17-20/h6-9,11,20H,2-5,10H2,1H3,(H2,16,17).
What are the key properties of N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide?
N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide is sourced from PubChem (CID 77003917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).