N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide

C16H26N2O — CID 43113751

IUPACN-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NC(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-6-16(4,5)18-15(19)13(3)17-12(2)14-10-8-7-9-11-14/h7-13,17H,6H2,1-5H3,(H,18,19)
InChIKeyQYTAWYAJKRRIQV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.03
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide

N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide (PubChem CID 43113751) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
PubChem CID43113751
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NC(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-6-16(4,5)18-15(19)13(3)17-12(2)14-10-8-7-9-11-14/h7-13,17H,6H2,1-5H3,(H,18,19)
InChIKeyQYTAWYAJKRRIQV-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409616
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81406486
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
CID 61473838
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide
CID 112811643
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide (CID 43113751) is N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide is CCC(C)(C)NC(=O)C(C)NC(C)c1ccccc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide?
The InChIKey is QYTAWYAJKRRIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-16(4,5)18-15(19)13(3)17-12(2)14-10-8-7-9-11-14/h7-13,17H,6H2,1-5H3,(H,18,19).
What are the key properties of N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide?
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide has a molecular weight of 262.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide is sourced from PubChem (CID 43113751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).