4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide

C14H20N2O3 — CID 106391867

IUPAC4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
SMILESC=CCCOCCNC(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H20N2O3/c1-3-4-8-19-9-7-16-14(17)12-6-5-11(15)10-13(12)18-2/h3,5-6,10H,1,4,7-9,15H2,2H3,(H,16,17)
InChIKeyNJPIZDVDNZXNLH-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.60
Rot. Bonds8

About 4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide

4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide (PubChem CID 106391867) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
PubChem CID106391867
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
SMILESC=CCCOCCNC(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H20N2O3/c1-3-4-8-19-9-7-16-14(17)12-6-5-11(15)10-13(12)18-2/h3,5-6,10H,1,4,7-9,15H2,2H3,(H,16,17)
InChIKeyNJPIZDVDNZXNLH-UHFFFAOYSA-N
XLogP1.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391871
2-amino-4-bromo-N-(2-but-3-enoxyethyl)benzamide
CID 102978755
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
CID 114182874
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
4-bromo-N-(2-but-3-enoxyethyl)-2-hydroxybenzamide
CID 103857022
5-bromo-N-(2-but-3-enoxyethyl)-2-methylbenzamide
CID 103855682
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836361
4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide?
The IUPAC name of 4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide (CID 106391867) is 4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide is C=CCCOCCNC(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide?
The InChIKey is NJPIZDVDNZXNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-8-19-9-7-16-14(17)12-6-5-11(15)10-13(12)18-2/h3,5-6,10H,1,4,7-9,15H2,2H3,(H,16,17).
What are the key properties of 4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide?
4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide has a molecular weight of 264.33 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide is sourced from PubChem (CID 106391867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).