N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide

C15H21N3O2 — CID 107182780

IUPACN-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C15H21N3O2/c1-10-4-2-7-13(10)15(19)17-9-11-5-3-6-12(8-11)14(16)18-20/h3,5-6,8,10,13,20H,2,4,7,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyUMHRRHLLUGKRQZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.83
Rot. Bonds4

About N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide

N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107182780) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107182780
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C15H21N3O2/c1-10-4-2-7-13(10)15(19)17-9-11-5-3-6-12(8-11)14(16)18-20/h3,5-6,8,10,13,20H,2,4,7,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyUMHRRHLLUGKRQZ-UHFFFAOYSA-N
XLogP1.83
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
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-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclobutanecarboxamide
CID 76932795
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylcyclopentane-1-carboxamide
CID 107182858
3-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopentyl)benzamide
CID 76993606
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-iodobenzamide
CID 76932753
N'-hydroxy-3-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 77056880
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
3-bromo-N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]benzamide
CID 76932708
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide
CID 76932775
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-5-methylfuran-2-carboxamide
CID 76932654
N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77030094
N-ethyl-2-[[3-(N'-hydroxycarbamimidoyl)phenyl]methylamino]acetamide
CID 77030457
N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43298902

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide (CID 107182780) is N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NCc1cccc(/C(N)=N/O)c1.
What is the InChIKey of N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is UMHRRHLLUGKRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-4-2-7-13(10)15(19)17-9-11-5-3-6-12(8-11)14(16)18-20/h3,5-6,8,10,13,20H,2,4,7,9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide?
N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107182780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).