N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide

C17H24N2O2 — CID 110423518

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(=O)NC2CC2)cc1C
InChIInChI=1S/C17H24N2O2/c1-12-6-7-14(10-13(12)2)4-3-5-16(20)18-11-17(21)19-15-8-9-15/h6-7,10,15H,3-5,8-9,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySMOQXUPXFPYYRB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.02
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide (PubChem CID 110423518) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
PubChem CID110423518
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(=O)NC2CC2)cc1C
InChIInChI=1S/C17H24N2O2/c1-12-6-7-14(10-13(12)2)4-3-5-16(20)18-11-17(21)19-15-8-9-15/h6-7,10,15H,3-5,8-9,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySMOQXUPXFPYYRB-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[(3,4-dimethylphenyl)methylamino]acetamide
CID 43434265
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110606172
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide
CID 110625244
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110606364
N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305405
N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide
CID 94272868
3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 47142765
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 18163868
2-(3,4-dimethylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114550146

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide (CID 110423518) is N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide is Cc1ccc(CCCC(=O)NCC(=O)NC2CC2)cc1C.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
The InChIKey is SMOQXUPXFPYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-6-7-14(10-13(12)2)4-3-5-16(20)18-11-17(21)19-15-8-9-15/h6-7,10,15H,3-5,8-9,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide has a molecular weight of 288.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide is sourced from PubChem (CID 110423518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).