3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide

C17H28N2O — CID 109032020

IUPAC3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)CCNCCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)9-11-18-12-10-17(20)19-16-8-6-5-7-15(16)14(3)4/h5-8,13-14,18H,9-12H2,1-4H3,(H,19,20)
InChIKeyTVCLRHJGMRXGJI-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.77
Rot. Bonds8

About 3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide

3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 109032020) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID109032020
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)CCNCCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)9-11-18-12-10-17(20)19-16-8-6-5-7-15(16)14(3)4/h5-8,13-14,18H,9-12H2,1-4H3,(H,19,20)
InChIKeyTVCLRHJGMRXGJI-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109018986
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 109019653
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032011
3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109035686

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide (CID 109032020) is 3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide is CC(C)CCNCCC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is TVCLRHJGMRXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)9-11-18-12-10-17(20)19-16-8-6-5-7-15(16)14(3)4/h5-8,13-14,18H,9-12H2,1-4H3,(H,19,20).
What are the key properties of 3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide?
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109032020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).