2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide

C17H26ClN3O2 — CID 56812801

IUPAC2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C17H26ClN3O2/c1-6-12-8-9-14(18)13(7-2)16(12)20-17(23)21(5)10-15(22)19-11(3)4/h8-9,11H,6-7,10H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyYUZQGVCANMZCAQ-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.45
Rot. Bonds6

About 2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide

2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 56812801) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide
PubChem CID56812801
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C17H26ClN3O2/c1-6-12-8-9-14(18)13(7-2)16(12)20-17(23)21(5)10-15(22)19-11(3)4/h8-9,11H,6-7,10H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyYUZQGVCANMZCAQ-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669715
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26198480
3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 51310542
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24589283
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386
2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide
CID 106852902
N-(3-chloro-2,6-diethylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748113

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide (CID 56812801) is 2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide is CCc1ccc(Cl)c(CC)c1NC(=O)N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is YUZQGVCANMZCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-6-12-8-9-14(18)13(7-2)16(12)20-17(23)21(5)10-15(22)19-11(3)4/h8-9,11H,6-7,10H2,1-5H3,(H,19,22)(H,20,23).
What are the key properties of 2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide?
2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 339.87 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 56812801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).