N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide

C17H28N2O — CID 115574031

IUPACN-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
SMILESCC(NC(c1ccccc1)C(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-12(2)15(14-10-8-7-9-11-14)18-13(3)16(20)19-17(4,5)6/h7-13,15,18H,1-6H3,(H,19,20)
InChIKeyCVWUYYCAJHTEAC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.28
Rot. Bonds5

About N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide

N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide (PubChem CID 115574031) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
PubChem CID115574031
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
SMILESCC(NC(c1ccccc1)C(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-12(2)15(14-10-8-7-9-11-14)18-13(3)16(20)19-17(4,5)6/h7-13,15,18H,1-6H3,(H,19,20)
InChIKeyCVWUYYCAJHTEAC-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methyl-1-phenylpropyl)amino]-N-propan-2-ylpropanamide
CID 112683279
(2R)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132466
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
(2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide
CID 101070351
2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
(2R)-N-(4-chlorophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132361
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
CID 43113751
N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059
3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine
CID 113457713
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide (CID 115574031) is N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide is CC(NC(c1ccccc1)C(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide?
The InChIKey is CVWUYYCAJHTEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)15(14-10-8-7-9-11-14)18-13(3)16(20)19-17(4,5)6/h7-13,15,18H,1-6H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide?
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide is sourced from PubChem (CID 115574031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).