N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide

C15H21ClN2O2 — CID 113054821

IUPACN-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-11(2)15(20)17-8-9-18(12(3)19)10-13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyGNEAZVLOBSLULM-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.46
Rot. Bonds6

About N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide

N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide (PubChem CID 113054821) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
PubChem CID113054821
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-11(2)15(20)17-8-9-18(12(3)19)10-13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyGNEAZVLOBSLULM-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113054765
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054840
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113119608
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide
CID 113056238
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-3-chlorobenzamide
CID 113054357
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide
CID 133149261
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
CID 113063711
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
CID 113119612
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide (CID 113054821) is N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide is CC(=O)N(CCNC(=O)C(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is GNEAZVLOBSLULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(2)15(20)17-8-9-18(12(3)19)10-13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide?
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 113054821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).