2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide

C19H28N2O2 — CID 54818020

IUPAC2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1cccc(OCCC(C)C)c1
InChIInChI=1S/C19H28N2O2/c1-5-11-21(12-6-2)15-19(22)20-17-8-7-9-18(14-17)23-13-10-16(3)4/h5-9,14,16H,1-2,10-13,15H2,3-4H3,(H,20,22)
InChIKeyYQLABEGVYUYAOH-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.72
Rot. Bonds11

About 2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide

2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide (PubChem CID 54818020) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide
PubChem CID54818020
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1cccc(OCCC(C)C)c1
InChIInChI=1S/C19H28N2O2/c1-5-11-21(12-6-2)15-19(22)20-17-8-7-9-18(14-17)23-13-10-16(3)4/h5-9,14,16H,1-2,10-13,15H2,3-4H3,(H,20,22)
InChIKeyYQLABEGVYUYAOH-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 112501859
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086733
3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 54795379
4-amino-N-(3-prop-2-enoxyphenyl)pentanamide
CID 120561225
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide (CID 54818020) is 2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide is C=CCN(CC=C)CC(=O)Nc1cccc(OCCC(C)C)c1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is YQLABEGVYUYAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-5-11-21(12-6-2)15-19(22)20-17-8-7-9-18(14-17)23-13-10-16(3)4/h5-9,14,16H,1-2,10-13,15H2,3-4H3,(H,20,22).
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide?
2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 3.72, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-N-[3-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 54818020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).