N-[3-(prop-2-enoylamino)propyl]propanamide

C9H16N2O2 — CID 45119504

IUPACN-[3-(prop-2-enoylamino)propyl]propanamide
SMILESC=CC(=O)NCCCNC(=O)CC
InChIInChI=1S/C9H16N2O2/c1-3-8(12)10-6-5-7-11-9(13)4-2/h3H,1,4-7H2,2H3,(H,10,12)(H,11,13)
InChIKeyCTJHTVGTJQYPNB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.20
Rot. Bonds6

About N-[3-(prop-2-enoylamino)propyl]propanamide

N-[3-(prop-2-enoylamino)propyl]propanamide (PubChem CID 45119504) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[3-(prop-2-enoylamino)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(prop-2-enoylamino)propyl]propanamide
PubChem CID45119504
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[3-(prop-2-enoylamino)propyl]propanamide
SMILESC=CC(=O)NCCCNC(=O)CC
InChIInChI=1S/C9H16N2O2/c1-3-8(12)10-6-5-7-11-9(13)4-2/h3H,1,4-7H2,2H3,(H,10,12)(H,11,13)
InChIKeyCTJHTVGTJQYPNB-UHFFFAOYSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.20
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-[3-(prop-2-enoylamino)propyl]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-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-heptadecylprop-2-enamide
CID 20727742
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
CID 159460964
N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940
N-butylprop-2-enamide;N-ethylethanamine
CID 22596658
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-[3-(prop-2-enoylamino)propyl]-6-sulfanylhexanamide
CID 118143471
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
molecular hydrogen;N-propylprop-2-enamide
CID 153372503

Frequently Asked Questions

What is the IUPAC name of N-[3-(prop-2-enoylamino)propyl]propanamide?
The IUPAC name of N-[3-(prop-2-enoylamino)propyl]propanamide (CID 45119504) is N-[3-(prop-2-enoylamino)propyl]propanamide.
What is the SMILES notation for N-[3-(prop-2-enoylamino)propyl]propanamide?
The canonical SMILES for N-[3-(prop-2-enoylamino)propyl]propanamide is C=CC(=O)NCCCNC(=O)CC.
What is the InChIKey of N-[3-(prop-2-enoylamino)propyl]propanamide?
The InChIKey is CTJHTVGTJQYPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-8(12)10-6-5-7-11-9(13)4-2/h3H,1,4-7H2,2H3,(H,10,12)(H,11,13).
What are the key properties of N-[3-(prop-2-enoylamino)propyl]propanamide?
N-[3-(prop-2-enoylamino)propyl]propanamide has a molecular weight of 184.24 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(prop-2-enoylamino)propyl]propanamide is sourced from PubChem (CID 45119504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).