N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide

C19H28ClN3O3 — CID 55827200

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)N(C)CC(=O)Nc1ccccc1Cl)C(C)C
InChIInChI=1S/C19H28ClN3O3/c1-12(2)10-16(24)22-18(13(3)4)19(26)23(5)11-17(25)21-15-9-7-6-8-14(15)20/h6-9,12-13,18H,10-11H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyIOCIHRAMVXKHGN-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.92
Rot. Bonds8

About N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide (PubChem CID 55827200) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
PubChem CID55827200
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)N(C)CC(=O)Nc1ccccc1Cl)C(C)C
InChIInChI=1S/C19H28ClN3O3/c1-12(2)10-16(24)22-18(13(3)4)19(26)23(5)11-17(25)21-15-9-7-6-8-14(15)20/h6-9,12-13,18H,10-11H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyIOCIHRAMVXKHGN-UHFFFAOYSA-N
XLogP2.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide
CID 8906660
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 18112777
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide
CID 56538645
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55439456
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 9306428
cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 38635337
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 38631592
N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide (CID 55827200) is N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide is CC(C)CC(=O)NC(C(=O)N(C)CC(=O)Nc1ccccc1Cl)C(C)C.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The InChIKey is IOCIHRAMVXKHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3/c1-12(2)10-16(24)22-18(13(3)4)19(26)23(5)11-17(25)21-15-9-7-6-8-14(15)20/h6-9,12-13,18H,10-11H2,1-5H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide has a molecular weight of 381.90 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide is sourced from PubChem (CID 55827200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).