2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide

C12H24N4O3 — CID 76923694

IUPAC2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
SMILESCCCC(C(=O)N(C)CC(=O)NC(C)C)C(N)=NO
InChIInChI=1S/C12H24N4O3/c1-5-6-9(11(13)15-19)12(18)16(4)7-10(17)14-8(2)3/h8-9,19H,5-7H2,1-4H3,(H2,13,15)(H,14,17)
InChIKeyFYPABAOWKOZBOG-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.13
Rot. Bonds7

About 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide

2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide (PubChem CID 76923694) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
PubChem CID76923694
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
SMILESCCCC(C(=O)N(C)CC(=O)NC(C)C)C(N)=NO
InChIInChI=1S/C12H24N4O3/c1-5-6-9(11(13)15-19)12(18)16(4)7-10(17)14-8(2)3/h8-9,19H,5-7H2,1-4H3,(H2,13,15)(H,14,17)
InChIKeyFYPABAOWKOZBOG-UHFFFAOYSA-N
XLogP0.13
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76924132
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 76924822
N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide
CID 63655155
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide
CID 76925117
N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76926674
(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 93367275
N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76923560
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
CID 76925488
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
N-[(2-bromophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76925817

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide (CID 76923694) is 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide is CCCC(C(=O)N(C)CC(=O)NC(C)C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The InChIKey is FYPABAOWKOZBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-5-6-9(11(13)15-19)12(18)16(4)7-10(17)14-8(2)3/h8-9,19H,5-7H2,1-4H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide has a molecular weight of 272.35 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide is sourced from PubChem (CID 76923694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).