N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide

C15H21N3O2 — CID 155148680

IUPACN-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
SMILESC=CCN(CC=C)c1cc(NC(C)=O)c(N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-5-7-18(8-6-2)14-10-13(17-11(3)19)12(16)9-15(14)20-4/h5-6,9-10H,1-2,7-8,16H2,3-4H3,(H,17,19)
InChIKeyUGSXUMLMVGTOEE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.41
Rot. Bonds7

About N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide

N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide (PubChem CID 155148680) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
PubChem CID155148680
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
SMILESC=CCN(CC=C)c1cc(NC(C)=O)c(N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-5-7-18(8-6-2)14-10-13(17-11(3)19)12(16)9-15(14)20-4/h5-6,9-10H,1-2,7-8,16H2,3-4H3,(H,17,19)
InChIKeyUGSXUMLMVGTOEE-UHFFFAOYSA-N
XLogP2.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-amino-2-methoxy-N-(3-oxopentyl)-5-(prop-1-en-2-ylamino)anilino]pentan-3-one
CID 129227301
methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate
CID 155150487
N-[2-(5-amino-7-bromo-4-chlorobenzotriazol-2-yl)-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
CID 91556015
[2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid
CID 167055796
2-methoxy-1-N,1-N-bis(prop-2-enyl)benzene-1,4-diamine
CID 155148654
N-[5-[bis(prop-2-enyl)amino]-2-[(2-hydroxy-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
CID 135772764
2-oxobutyl 3-(5-acetamido-4-amino-N-benzyl-2-methoxyanilino)propanoate
CID 155150518
2-amino-4,5-dimethoxy-N,N-bis(prop-2-enyl)benzamide
CID 61118260
1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone
CID 113388829
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
3-(2,4-dimethoxy-N-prop-2-enylanilino)propanoic acid
CID 82317570
4-[4-amino-N-(4-hydroxybutyl)-2-methoxy-5-(methylamino)anilino]butan-1-ol
CID 144755561

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide (CID 155148680) is N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide is C=CCN(CC=C)c1cc(NC(C)=O)c(N)cc1OC.
What is the InChIKey of N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide?
The InChIKey is UGSXUMLMVGTOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-7-18(8-6-2)14-10-13(17-11(3)19)12(16)9-15(14)20-4/h5-6,9-10H,1-2,7-8,16H2,3-4H3,(H,17,19).
What are the key properties of N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide?
N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 155148680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).