pentyl 2-[pentyl(prop-2-enoyl)amino]acetate

C15H27NO3 — CID 146324502

IUPACpentyl 2-[pentyl(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(CCCCC)CC(=O)OCCCCC
InChIInChI=1S/C15H27NO3/c1-4-7-9-11-16(14(17)6-3)13-15(18)19-12-10-8-5-2/h6H,3-5,7-13H2,1-2H3
InChIKeyLNOCQKRZGJMPAC-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.92
Rot. Bonds11

About pentyl 2-[pentyl(prop-2-enoyl)amino]acetate

pentyl 2-[pentyl(prop-2-enoyl)amino]acetate (PubChem CID 146324502) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is pentyl 2-[pentyl(prop-2-enoyl)amino]acetate.

Molecular Properties

Compound Namepentyl 2-[pentyl(prop-2-enoyl)amino]acetate
PubChem CID146324502
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namepentyl 2-[pentyl(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(CCCCC)CC(=O)OCCCCC
InChIInChI=1S/C15H27NO3/c1-4-7-9-11-16(14(17)6-3)13-15(18)19-12-10-8-5-2/h6H,3-5,7-13H2,1-2H3
InChIKeyLNOCQKRZGJMPAC-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze pentyl 2-[pentyl(prop-2-enoyl)amino]acetate 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

ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
hexyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486285
butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate
CID 59029711
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
CID 60948673
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
9-[dodecyl(hydroxy)amino]nonyl 2-(didecylamino)acetate
CID 171586143
heptadecyl 2-[butoxycarbonyl(ethyl)amino]acetate
CID 91723067
3-methylbutyl 2-[ethyl(prop-2-enoyl)amino]acetate
CID 134486244
octyl N,N-di(undecyl)carbamate
CID 168918683
octyl N,N-di(nonyl)carbamate
CID 168918776

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[pentyl(prop-2-enoyl)amino]acetate?
The IUPAC name of pentyl 2-[pentyl(prop-2-enoyl)amino]acetate (CID 146324502) is pentyl 2-[pentyl(prop-2-enoyl)amino]acetate.
What is the SMILES notation for pentyl 2-[pentyl(prop-2-enoyl)amino]acetate?
The canonical SMILES for pentyl 2-[pentyl(prop-2-enoyl)amino]acetate is C=CC(=O)N(CCCCC)CC(=O)OCCCCC.
What is the InChIKey of pentyl 2-[pentyl(prop-2-enoyl)amino]acetate?
The InChIKey is LNOCQKRZGJMPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-7-9-11-16(14(17)6-3)13-15(18)19-12-10-8-5-2/h6H,3-5,7-13H2,1-2H3.
What are the key properties of pentyl 2-[pentyl(prop-2-enoyl)amino]acetate?
pentyl 2-[pentyl(prop-2-enoyl)amino]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[pentyl(prop-2-enoyl)amino]acetate is sourced from PubChem (CID 146324502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).