2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide

C15H25N3O2S — CID 76932961

IUPAC2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCc1ccc(C)s1)C(N)=NO
InChIInChI=1S/C15H25N3O2S/c1-4-8-15(9-5-2,13(16)18-20)14(19)17-10-12-7-6-11(3)21-12/h6-7,20H,4-5,8-10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyOYWVYQOFXHCTHN-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.01
Rot. Bonds8

About 2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide

2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide (PubChem CID 76932961) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide
PubChem CID76932961
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCc1ccc(C)s1)C(N)=NO
InChIInChI=1S/C15H25N3O2S/c1-4-8-15(9-5-2,13(16)18-20)14(19)17-10-12-7-6-11(3)21-12/h6-7,20H,4-5,8-10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyOYWVYQOFXHCTHN-UHFFFAOYSA-N
XLogP3.01
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.01
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

2-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpentanamide
CID 106375729
3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 81489224
2-methyl-2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62846936
N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 104864532
2-(N'-hydroxycarbamimidoyl)-N-(4-iodophenyl)-2-propylpentanamide
CID 76925270
2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 80556800
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfinylethyl)-2-propylpentanamide
CID 104864779
N-[2-(dimethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 76928663
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 76939036
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 76921352
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
1-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 76932956

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide (CID 76932961) is 2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide is CCCC(CCC)(C(=O)NCc1ccc(C)s1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide?
The InChIKey is OYWVYQOFXHCTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-8-15(9-5-2,13(16)18-20)14(19)17-10-12-7-6-11(3)21-12/h6-7,20H,4-5,8-10H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide?
2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide has a molecular weight of 311.45 g/mol, XLogP of 3.01, 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-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 76932961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).