N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide

C19H32N2O — CID 110284620

IUPACN-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H32N2O/c1-6-18(7-2)19(22)20-16(5)13-21(15(3)4)14-17-11-9-8-10-12-17/h8-12,15-16,18H,6-7,13-14H2,1-5H3,(H,20,22)
InChIKeyXJQPLGFGAPSTLD-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.84
Rot. Bonds9

About N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide

N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide (PubChem CID 110284620) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide
PubChem CID110284620
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H32N2O/c1-6-18(7-2)19(22)20-16(5)13-21(15(3)4)14-17-11-9-8-10-12-17/h8-12,15-16,18H,6-7,13-14H2,1-5H3,(H,20,22)
InChIKeyXJQPLGFGAPSTLD-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
CID 110624517
[2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene
CID 110284657
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
CID 130522033
[(2S)-1-[benzyl(propan-2-yl)amino]-2-hydroxy-5-methylhexan-3-yl]carbamic acid
CID 70415964
N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide
CID 120994064
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
CID 119369701
2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide
CID 132701684
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765

Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide (CID 110284620) is N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC(C)CN(Cc1ccccc1)C(C)C.
What is the InChIKey of N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide?
The InChIKey is XJQPLGFGAPSTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-6-18(7-2)19(22)20-16(5)13-21(15(3)4)14-17-11-9-8-10-12-17/h8-12,15-16,18H,6-7,13-14H2,1-5H3,(H,20,22).
What are the key properties of N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide?
N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide has a molecular weight of 304.48 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide is sourced from PubChem (CID 110284620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).