N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide

C17H28N2O — CID 61022459

IUPACN-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H28N2O/c1-6-14(4)19-17(20)9-10-18-15(5)16-8-7-12(2)13(3)11-16/h7-8,11,14-15,18H,6,9-10H2,1-5H3,(H,19,20)
InChIKeyAMVLGPURFJOCFE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.26
Rot. Bonds7

About N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide

N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide (PubChem CID 61022459) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
PubChem CID61022459
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H28N2O/c1-6-14(4)19-17(20)9-10-18-15(5)16-8-7-12(2)13(3)11-16/h7-8,11,14-15,18H,6,9-10H2,1-5H3,(H,19,20)
InChIKeyAMVLGPURFJOCFE-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 61022567
N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide
CID 61022683
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 17326498
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 81334397
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 82774284
3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 55098195
1-(3,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780942
N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide
CID 108941829
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 9335310

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide (CID 61022459) is N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide is CCC(C)NC(=O)CCNC(C)c1ccc(C)c(C)c1.
What is the InChIKey of N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide?
The InChIKey is AMVLGPURFJOCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-14(4)19-17(20)9-10-18-15(5)16-8-7-12(2)13(3)11-16/h7-8,11,14-15,18H,6,9-10H2,1-5H3,(H,19,20).
What are the key properties of N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide?
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide is sourced from PubChem (CID 61022459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).