N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide

C15H22N2O2 — CID 113057406

IUPACN-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
SMILESCCCC(=O)NCCN(C(C)=O)c1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-6-15(19)16-9-10-17(13(3)18)14-8-5-7-12(2)11-14/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,19)
InChIKeyXQYDABCXXZNHHN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide

N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide (PubChem CID 113057406) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
PubChem CID113057406
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
SMILESCCCC(=O)NCCN(C(C)=O)c1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-6-15(19)16-9-10-17(13(3)18)14-8-5-7-12(2)11-14/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,19)
InChIKeyXQYDABCXXZNHHN-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
CID 113060528
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
CID 113057469
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061592
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 113057415
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
methyl 4-[acetyl-[2-(butanoylamino)ethyl]amino]benzoate
CID 113062014
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide?
The IUPAC name of N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide (CID 113057406) is N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide.
What is the SMILES notation for N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide?
The canonical SMILES for N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide is CCCC(=O)NCCN(C(C)=O)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide?
The InChIKey is XQYDABCXXZNHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-6-15(19)16-9-10-17(13(3)18)14-8-5-7-12(2)11-14/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide?
N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide has a molecular weight of 262.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide is sourced from PubChem (CID 113057406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).