2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide

C14H25N3O2 — CID 87127359

IUPAC2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide
SMILESC=CCN(CC=C)C(=O)CN(CCCC)CC(N)=O
InChIInChI=1S/C14H25N3O2/c1-4-7-10-16(11-13(15)18)12-14(19)17(8-5-2)9-6-3/h5-6H,2-4,7-12H2,1H3,(H2,15,18)
InChIKeyKVSFYZRNYVSDBP-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.77
Rot. Bonds11

About 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide

2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide (PubChem CID 87127359) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide
PubChem CID87127359
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide
SMILESC=CCN(CC=C)C(=O)CN(CCCC)CC(N)=O
InChIInChI=1S/C14H25N3O2/c1-4-7-10-16(11-13(15)18)12-14(19)17(8-5-2)9-6-3/h5-6H,2-4,7-12H2,1H3,(H2,15,18)
InChIKeyKVSFYZRNYVSDBP-UHFFFAOYSA-N
XLogP0.77
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide 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~1~,N~2~-diallylethanediamide
CID 241033
2-Propen-1-aminium, N-(2-amino-2-oxoethyl)-N,N-dimethyl-
CID 3047472
N,N,N',N'-tetrakis(prop-2-enyl)oxamide
CID 3417533
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
2-(dimethylamino)-N-prop-2-enylacetamide
CID 19362079
2-(methylamino)-N,N-bis(prop-2-enyl)acetamide
CID 24694747
2-(dimethylamino)-N,N-bis(prop-2-enyl)acetamide
CID 54844050
2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide
CID 113158100
2-amino-N-[(E)-but-2-enyl]-N-butylacetamide
CID 134892588
N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79277924
N-allyl-N'-[3-(dimethylamino)propyl]ethanediamide
CID 2206810
N~1~-allyl-N~2~-isopentylethanediamide
CID 21369924

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide?
The IUPAC name of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide (CID 87127359) is 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide.
What is the SMILES notation for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide?
The canonical SMILES for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide is C=CCN(CC=C)C(=O)CN(CCCC)CC(N)=O.
What is the InChIKey of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide?
The InChIKey is KVSFYZRNYVSDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-7-10-16(11-13(15)18)12-14(19)17(8-5-2)9-6-3/h5-6H,2-4,7-12H2,1H3,(H2,15,18).
What are the key properties of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide?
2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide has a molecular weight of 267.37 g/mol, XLogP of 0.77, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-butylamino]acetamide is sourced from PubChem (CID 87127359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).