N-methyl-2-(pent-3-en-2-ylamino)butanamide

C10H20N2O — CID 123228180

IUPACN-methyl-2-(pent-3-en-2-ylamino)butanamide
SMILESCC=CC(C)NC(CC)C(=O)NC
InChIInChI=1S/C10H20N2O/c1-5-7-8(3)12-9(6-2)10(13)11-4/h5,7-9,12H,6H2,1-4H3,(H,11,13)
InChIKeyZGJIBRLNKSPSAK-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.07
Rot. Bonds5

About N-methyl-2-(pent-3-en-2-ylamino)butanamide

N-methyl-2-(pent-3-en-2-ylamino)butanamide (PubChem CID 123228180) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-2-(pent-3-en-2-ylamino)butanamide.

Molecular Properties

Compound NameN-methyl-2-(pent-3-en-2-ylamino)butanamide
PubChem CID123228180
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-2-(pent-3-en-2-ylamino)butanamide
SMILESCC=CC(C)NC(CC)C(=O)NC
InChIInChI=1S/C10H20N2O/c1-5-7-8(3)12-9(6-2)10(13)11-4/h5,7-9,12H,6H2,1-4H3,(H,11,13)
InChIKeyZGJIBRLNKSPSAK-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-2-(pent-3-en-2-ylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Palustridiene
CID 155293166
2,5-Dihydro-1H-pyrrole-2-carboxamide
CID 549255
Myricoidine Picrate
CID 5387595
(4S)-4-[(1Z,4Z)-hepta-1,4-dienyl]-1,5,9-triazacyclotridecan-2-one
CID 139594204
2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
CID 95627711
N-[(E)-4-amino-5-fluoropent-2-enyl]butanamide
CID 20466292
N-(4-amino-5-fluoropent-2-enyl)butanamide
CID 54168315
(2S)-2-[[(E)-4,5,5-trifluoropent-2-enyl]amino]butanamide
CID 143150912
3-Amino-1,3,4,7,8,9-hexahydro-2h-azonin-2-one
CID 129826304
3-Amino-1,3,4,7-tetrahydro-2h-azepin-2-one
CID 129860028
2-[(6Z)-9-acetamido-1-methyl-3,10-dioxo-2,5,8,9-tetrahydro-1,4-diazecin-4-yl]-N-methylacetamide
CID 134836525
2-[[(E)-pent-3-enyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 116153545

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pent-3-en-2-ylamino)butanamide?
The IUPAC name of N-methyl-2-(pent-3-en-2-ylamino)butanamide (CID 123228180) is N-methyl-2-(pent-3-en-2-ylamino)butanamide.
What is the SMILES notation for N-methyl-2-(pent-3-en-2-ylamino)butanamide?
The canonical SMILES for N-methyl-2-(pent-3-en-2-ylamino)butanamide is CC=CC(C)NC(CC)C(=O)NC.
What is the InChIKey of N-methyl-2-(pent-3-en-2-ylamino)butanamide?
The InChIKey is ZGJIBRLNKSPSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-7-8(3)12-9(6-2)10(13)11-4/h5,7-9,12H,6H2,1-4H3,(H,11,13).
What are the key properties of N-methyl-2-(pent-3-en-2-ylamino)butanamide?
N-methyl-2-(pent-3-en-2-ylamino)butanamide has a molecular weight of 184.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pent-3-en-2-ylamino)butanamide is sourced from PubChem (CID 123228180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).