N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide

C14H22N2O — CID 63753720

IUPACN-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide
SMILESCCC(CN)NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-4-13(9-15)16-14(17)12-7-5-11(6-8-12)10(2)3/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyVRAPYBWMRISUPP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.28
Rot. Bonds5

About N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide

N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide (PubChem CID 63753720) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide
PubChem CID63753720
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide
SMILESCCC(CN)NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-4-13(9-15)16-14(17)12-7-5-11(6-8-12)10(2)3/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyVRAPYBWMRISUPP-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
N-hex-5-yn-3-yl-4-propan-2-ylbenzamide
CID 115647299
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide
CID 65193516
(2R,3S)-3-methyl-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 51541225
4-amino-N-hexan-3-ylbenzamide
CID 62094734
N-(1-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104671529
3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide (CID 63753720) is N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide is CCC(CN)NC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide?
The InChIKey is VRAPYBWMRISUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-13(9-15)16-14(17)12-7-5-11(6-8-12)10(2)3/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide?
N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 63753720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).