N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide

C17H28N2O — CID 115605278

IUPACN-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide
SMILESCC(C)C(NCCC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-13(2)16(14-9-7-6-8-10-14)18-12-11-15(20)19-17(3,4)5/h6-10,13,16,18H,11-12H2,1-5H3,(H,19,20)
InChIKeyQSDYDPXJMWQHNW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.28
Rot. Bonds6

About N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide

N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide (PubChem CID 115605278) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide
PubChem CID115605278
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide
SMILESCC(C)C(NCCC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-13(2)16(14-9-7-6-8-10-14)18-12-11-15(20)19-17(3,4)5/h6-10,13,16,18H,11-12H2,1-5H3,(H,19,20)
InChIKeyQSDYDPXJMWQHNW-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
CID 115750835
N-tert-butyl-3-(1-phenylbutylamino)propanamide
CID 115605323
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 103796335
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide
CID 115605352
N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
CID 112688495
tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate
CID 115606965
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one
CID 70926690
N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115676858
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide (CID 115605278) is N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide is CC(C)C(NCCC(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide?
The InChIKey is QSDYDPXJMWQHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)16(14-9-7-6-8-10-14)18-12-11-15(20)19-17(3,4)5/h6-10,13,16,18H,11-12H2,1-5H3,(H,19,20).
What are the key properties of N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide?
N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide is sourced from PubChem (CID 115605278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).