N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide

C14H26N2O2 — CID 134339729

IUPACN-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCCCCCCC
InChIInChI=1S/C14H26N2O2/c1-5-7-8-9-10-11-15-13(18)14(3,4)16-12(17)6-2/h6H,2,5,7-11H2,1,3-4H3,(H,15,18)(H,16,17)
InChIKeyWYTRRRCBIVTVDM-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.15
Rot. Bonds9

About N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide

N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide (PubChem CID 134339729) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound NameN-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
PubChem CID134339729
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCCCCCCC
InChIInChI=1S/C14H26N2O2/c1-5-7-8-9-10-11-15-13(18)14(3,4)16-12(17)6-2/h6H,2,5,7-11H2,1,3-4H3,(H,15,18)(H,16,17)
InChIKeyWYTRRRCBIVTVDM-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide 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

N-heptadecylprop-2-enamide
CID 20727742
sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
CID 175046256
carbonic acid;N-hexylprop-2-enamide
CID 22445987
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2-hydroxy-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
CID 134329092
N-(2-hydroxytridecan-2-yl)prop-2-enamide
CID 141282485
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide?
The IUPAC name of N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide (CID 134339729) is N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide.
What is the SMILES notation for N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide?
The canonical SMILES for N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide is C=CC(=O)NC(C)(C)C(=O)NCCCCCCC.
What is the InChIKey of N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide?
The InChIKey is WYTRRRCBIVTVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-7-8-9-10-11-15-13(18)14(3,4)16-12(17)6-2/h6H,2,5,7-11H2,1,3-4H3,(H,15,18)(H,16,17).
What are the key properties of N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide?
N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide has a molecular weight of 254.37 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 134339729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).