2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide

C15H23N3O2 — CID 76925665

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide
SMILESCCCC(C(=O)NCCCc1ccccc1)C(N)=NO
InChIInChI=1S/C15H23N3O2/c1-2-7-13(14(16)18-20)15(19)17-11-6-10-12-8-4-3-5-9-12/h3-5,8-9,13,20H,2,6-7,10-11H2,1H3,(H2,16,18)(H,17,19)
InChIKeyCIAVCCYUZWTRLX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.90
Rot. Bonds8

About 2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide

2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide (PubChem CID 76925665) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide
PubChem CID76925665
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide
SMILESCCCC(C(=O)NCCCc1ccccc1)C(N)=NO
InChIInChI=1S/C15H23N3O2/c1-2-7-13(14(16)18-20)15(19)17-11-6-10-12-8-4-3-5-9-12/h3-5,8-9,13,20H,2,6-7,10-11H2,1H3,(H2,16,18)(H,17,19)
InChIKeyCIAVCCYUZWTRLX-UHFFFAOYSA-N
XLogP1.90
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926629
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylphenyl)methyl]pentanamide
CID 76925362
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924737
2-amino-N-(5-phenylpentyl)pentanamide;hydrochloride
CID 119317079
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
2-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103010119
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-phenylethyl)butanamide
CID 76925756
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfonylethyl)pentanamide
CID 76926405
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide (CID 76925665) is 2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide is CCCC(C(=O)NCCCc1ccccc1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide?
The InChIKey is CIAVCCYUZWTRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-7-13(14(16)18-20)15(19)17-11-6-10-12-8-4-3-5-9-12/h3-5,8-9,13,20H,2,6-7,10-11H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide has a molecular weight of 277.37 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide is sourced from PubChem (CID 76925665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).