3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide

C16H26N2O — CID 109013163

IUPAC3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCCC(C)NCCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-5-13(4)17-11-10-16(19)18-15-9-7-6-8-14(15)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyOWSMRDLPDDCPER-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.53
Rot. Bonds7

About 3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide

3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 109013163) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID109013163
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCCC(C)NCCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C16H26N2O/c1-5-13(4)17-11-10-16(19)18-15-9-7-6-8-14(15)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyOWSMRDLPDDCPER-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(butan-2-ylamino)-N-(2-chlorophenyl)propanamide
CID 109013172
methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate
CID 109013203
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
N-(2-propan-2-ylphenyl)propanamide
CID 723442
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109018986
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide (CID 109013163) is 3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide is CCC(C)NCCC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is OWSMRDLPDDCPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(4)17-11-10-16(19)18-15-9-7-6-8-14(15)12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of 3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide?
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109013163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).