4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide

C19H31N3O3 — CID 16748476

IUPAC4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide
SMILESCCCCN(C)CCCCNC(=O)c1ccc(NC(C)=O)cc1OC
InChIInChI=1S/C19H31N3O3/c1-5-6-12-22(3)13-8-7-11-20-19(24)17-10-9-16(21-15(2)23)14-18(17)25-4/h9-10,14H,5-8,11-13H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyQQLMMLGPWYVXOW-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.90
Rot. Bonds11

About 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide

4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide (PubChem CID 16748476) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide
PubChem CID16748476
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide
SMILESCCCCN(C)CCCCNC(=O)c1ccc(NC(C)=O)cc1OC
InChIInChI=1S/C19H31N3O3/c1-5-6-12-22(3)13-8-7-11-20-19(24)17-10-9-16(21-15(2)23)14-18(17)25-4/h9-10,14H,5-8,11-13H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyQQLMMLGPWYVXOW-UHFFFAOYSA-N
XLogP2.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
CID 142817541
5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 5145883
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
1-N-[2-(dibutylamino)ethyl]-2-methoxybenzene-1,4-dicarboxamide
CID 68776684
2-methoxy-N-tridecylbenzamide
CID 139819873
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxybenzoyl)amino]-2-methoxybenzamide
CID 66934739
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide?
The IUPAC name of 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide (CID 16748476) is 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide.
What is the SMILES notation for 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide?
The canonical SMILES for 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide is CCCCN(C)CCCCNC(=O)c1ccc(NC(C)=O)cc1OC.
What is the InChIKey of 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide?
The InChIKey is QQLMMLGPWYVXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-5-6-12-22(3)13-8-7-11-20-19(24)17-10-9-16(21-15(2)23)14-18(17)25-4/h9-10,14H,5-8,11-13H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide?
4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide has a molecular weight of 349.48 g/mol, XLogP of 2.90, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide is sourced from PubChem (CID 16748476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).