N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide

C19H32N2O — CID 109013041

IUPACN-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
SMILESCCC(C)NC(=O)CCNc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H32N2O/c1-7-15(6)21-18(22)11-12-20-19-16(13(2)3)9-8-10-17(19)14(4)5/h8-10,13-15,20H,7,11-12H2,1-6H3,(H,21,22)
InChIKeyLJMPMEUZABUPBH-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.65
Rot. Bonds8

About N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide

N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide (PubChem CID 109013041) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
PubChem CID109013041
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
SMILESCCC(C)NC(=O)CCNc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H32N2O/c1-7-15(6)21-18(22)11-12-20-19-16(13(2)3)9-8-10-17(19)14(4)5/h8-10,13-15,20H,7,11-12H2,1-6H3,(H,21,22)
InChIKeyLJMPMEUZABUPBH-UHFFFAOYSA-N
XLogP4.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109011766
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109041113
N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
CID 108958316
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62238876
N-butan-2-yl-3-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 61021836
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]benzoic acid
CID 115545678
3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039645
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
CID 109015777
N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013029

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide?
The IUPAC name of N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide (CID 109013041) is N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide is CCC(C)NC(=O)CCNc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide?
The InChIKey is LJMPMEUZABUPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-7-15(6)21-18(22)11-12-20-19-16(13(2)3)9-8-10-17(19)14(4)5/h8-10,13-15,20H,7,11-12H2,1-6H3,(H,21,22).
What are the key properties of N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide?
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide has a molecular weight of 304.48 g/mol, XLogP of 4.65, 8 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-[2,6-di(propan-2-yl)anilino]propanamide is sourced from PubChem (CID 109013041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).