N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide

C10H17N3O3 — CID 126574850

IUPACN'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide
SMILESC=CC(=O)NC(C)(C)CCNC(=O)C(N)=O
InChIInChI=1S/C10H17N3O3/c1-4-7(14)13-10(2,3)5-6-12-9(16)8(11)15/h4H,1,5-6H2,2-3H3,(H2,11,15)(H,12,16)(H,13,14)
InChIKeySHIMFCKZFDDUJW-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.94
Rot. Bonds5

About N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide

N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide (PubChem CID 126574850) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide.

Molecular Properties

Compound NameN'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide
PubChem CID126574850
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide
SMILESC=CC(=O)NC(C)(C)CCNC(=O)C(N)=O
InChIInChI=1S/C10H17N3O3/c1-4-7(14)13-10(2,3)5-6-12-9(16)8(11)15/h4H,1,5-6H2,2-3H3,(H2,11,15)(H,12,16)(H,13,14)
InChIKeySHIMFCKZFDDUJW-UHFFFAOYSA-N
XLogP-0.94
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide 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

2-Propenamide, N-[3-(diethylamino)-1,1-dimethylpropyl]-
CID 3097416
N-(1,1-dimethyl-3-dimethylaminopropyl)acrylamide
CID 1639462
(2S)-N,3-dimethyl-2-(prop-2-enoylamino)butanamide
CID 90734779
2-acetamido-N-(3-methylbutyl)prop-2-enamide
CID 12004285
2-Acrylamido-2-methylpropoyldimethylammonium chloride
CID 129675493
N-methyl-N-[2-[3-methyl-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]-2-oxoethyl]prop-2-enamide
CID 166407460
N~1~-allyl-N~2~-isopentylethanediamide
CID 21369924
N-[4-(dipropylamino)-2-methylbutan-2-yl]prop-2-enamide
CID 91705282
Trimethyl-[3-methyl-3-(prop-2-enoylamino)butyl]azanium
CID 14787214
N-[2-(butylamino)ethyl]prop-2-enamide
CID 18325566
N-[2-(tert-butylamino)ethyl]prop-2-enamide
CID 18325619
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820

Frequently Asked Questions

What is the IUPAC name of N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide?
The IUPAC name of N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide (CID 126574850) is N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide.
What is the SMILES notation for N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide?
The canonical SMILES for N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide is C=CC(=O)NC(C)(C)CCNC(=O)C(N)=O.
What is the InChIKey of N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide?
The InChIKey is SHIMFCKZFDDUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-7(14)13-10(2,3)5-6-12-9(16)8(11)15/h4H,1,5-6H2,2-3H3,(H2,11,15)(H,12,16)(H,13,14).
What are the key properties of N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide?
N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide has a molecular weight of 227.26 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methyl-3-(prop-2-enoylamino)butyl]oxamide is sourced from PubChem (CID 126574850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).