2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide

C12H24N4O3 — CID 76925117

IUPAC2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide
SMILESCCCC(C(=O)N(CCC)CC(=O)NC)C(N)=NO
InChIInChI=1S/C12H24N4O3/c1-4-6-9(11(13)15-19)12(18)16(7-5-2)8-10(17)14-3/h9,19H,4-8H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyBUDIMEUVAQGGFJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.13
Rot. Bonds8

About 2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide

2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide (PubChem CID 76925117) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide
PubChem CID76925117
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide
SMILESCCCC(C(=O)N(CCC)CC(=O)NC)C(N)=NO
InChIInChI=1S/C12H24N4O3/c1-4-6-9(11(13)15-19)12(18)16(7-5-2)8-10(17)14-3/h9,19H,4-8H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyBUDIMEUVAQGGFJ-UHFFFAOYSA-N
XLogP0.13
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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

(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 76923694
2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 62473775
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62727427
2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
CID 63680296
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76924132
ethyl 3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]butanoate
CID 116537910
N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76923560
3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide
CID 76925880
4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 61041902
3-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 76910215
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 76924822

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide (CID 76925117) is 2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide is CCCC(C(=O)N(CCC)CC(=O)NC)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide?
The InChIKey is BUDIMEUVAQGGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-4-6-9(11(13)15-19)12(18)16(7-5-2)8-10(17)14-3/h9,19H,4-8H2,1-3H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide?
2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide has a molecular weight of 272.35 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide is sourced from PubChem (CID 76925117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).