N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide

C14H20N4O2 — CID 79401252

IUPACN-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide
SMILESNC(=NO)c1ccc(CNCCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N4O2/c15-14(18-20)11-3-1-10(2-4-11)9-16-8-7-13(19)17-12-5-6-12/h1-4,12,16,20H,5-9H2,(H2,15,18)(H,17,19)
InChIKeyVEMNXTREWFHCGF-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.54
Rot. Bonds7

About N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide

N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide (PubChem CID 79401252) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide
PubChem CID79401252
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide
SMILESNC(=NO)c1ccc(CNCCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N4O2/c15-14(18-20)11-3-1-10(2-4-11)9-16-8-7-13(19)17-12-5-6-12/h1-4,12,16,20H,5-9H2,(H2,15,18)(H,17,19)
InChIKeyVEMNXTREWFHCGF-UHFFFAOYSA-N
XLogP0.54
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
4-[[[4-(cyclopropylamino)-4-oxobutyl]amino]methyl]benzoic acid
CID 79394418
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(oxan-4-yl)acetamide
CID 77001460
4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026385
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 77001782
3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
CID 79401711
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
CID 79036237
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
N-cyclopropyl-3-(furan-3-ylmethylamino)propanamide
CID 78921552
N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide
CID 77028502

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide (CID 79401252) is N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide is NC(=NO)c1ccc(CNCCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide?
The InChIKey is VEMNXTREWFHCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-14(18-20)11-3-1-10(2-4-11)9-16-8-7-13(19)17-12-5-6-12/h1-4,12,16,20H,5-9H2,(H2,15,18)(H,17,19).
What are the key properties of N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide?
N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide has a molecular weight of 276.34 g/mol, XLogP of 0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 79401252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).