2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide

C17H26N4O4 — CID 8594560

IUPAC2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCCCNC(=O)NC(=O)CN(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H26N4O4/c1-4-5-9-18-17(24)20-16(23)12-21(2)11-15(22)19-13-7-6-8-14(10-13)25-3/h6-8,10H,4-5,9,11-12H2,1-3H3,(H,19,22)(H2,18,20,23,24)
InChIKeyNLQALFYAUARYJM-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.19
Rot. Bonds9

About 2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 8594560) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID8594560
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCCCNC(=O)NC(=O)CN(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H26N4O4/c1-4-5-9-18-17(24)20-16(23)12-21(2)11-15(22)19-13-7-6-8-14(10-13)25-3/h6-8,10H,4-5,9,11-12H2,1-3H3,(H,19,22)(H2,18,20,23,24)
InChIKeyNLQALFYAUARYJM-UHFFFAOYSA-N
XLogP1.19
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
2-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198492
2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8556475
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292
(2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide
CID 8594468
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 37128973
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 27242216
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8754959

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 8594560) is 2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide is CCCCNC(=O)NC(=O)CN(C)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is NLQALFYAUARYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-4-5-9-18-17(24)20-16(23)12-21(2)11-15(22)19-13-7-6-8-14(10-13)25-3/h6-8,10H,4-5,9,11-12H2,1-3H3,(H,19,22)(H2,18,20,23,24).
What are the key properties of 2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 8594560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).