2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide

C15H21N3O2 — CID 76923919

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide
SMILESCCCC(C(=O)NC1CC1c1ccccc1)C(N)=NO
InChIInChI=1S/C15H21N3O2/c1-2-6-11(14(16)18-20)15(19)17-13-9-12(13)10-7-4-3-5-8-10/h3-5,7-8,11-13,20H,2,6,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeySMNNXARYFBSCNC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.82
Rot. Bonds6

About 2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide

2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide (PubChem CID 76923919) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide
PubChem CID76923919
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide
SMILESCCCC(C(=O)NC1CC1c1ccccc1)C(N)=NO
InChIInChI=1S/C15H21N3O2/c1-2-6-11(14(16)18-20)15(19)17-13-9-12(13)10-7-4-3-5-8-10/h3-5,7-8,11-13,20H,2,6,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeySMNNXARYFBSCNC-UHFFFAOYSA-N
XLogP1.82
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.82
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

2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
CID 131862373
(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
CID 107566679
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77050596
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide
CID 77030977
2-amino-3-methyl-N-(2-phenylcyclopropyl)pentanamide;hydrochloride
CID 119709457
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylphenyl)methyl]pentanamide
CID 76925362
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924737
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide (CID 76923919) is 2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide is CCCC(C(=O)NC1CC1c1ccccc1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide?
The InChIKey is SMNNXARYFBSCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-6-11(14(16)18-20)15(19)17-13-9-12(13)10-7-4-3-5-8-10/h3-5,7-8,11-13,20H,2,6,9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide has a molecular weight of 275.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide is sourced from PubChem (CID 76923919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).