N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide

C16H26N2O — CID 81361059

IUPACN-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
SMILESCc1cccc([C@H](C)NC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H26N2O/c1-11-8-7-9-14(10-11)12(2)17-13(3)15(19)18-16(4,5)6/h7-10,12-13,17H,1-6H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyICVXAVXLLOFMQB-UEWDXFNNSA-N
MW262.40 g/mol
LogP2.95
Rot. Bonds4

About N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide

N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide (PubChem CID 81361059) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
PubChem CID81361059
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
SMILESCc1cccc([C@H](C)NC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H26N2O/c1-11-8-7-9-14(10-11)12(2)17-13(3)15(19)18-16(4,5)6/h7-10,12-13,17H,1-6H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyICVXAVXLLOFMQB-UEWDXFNNSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115588995
2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 81363547
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693
methyl 2-[1-(3-methylphenyl)ethylamino]propanoate
CID 60781961
2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-N-pentylpropanamide
CID 81361574
N-tert-butyl-2-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 115573948
ethyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81361138
2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide
CID 1009881
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81410714

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide (CID 81361059) is N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide is Cc1cccc([C@H](C)NC(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide?
The InChIKey is ICVXAVXLLOFMQB-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-8-7-9-14(10-11)12(2)17-13(3)15(19)18-16(4,5)6/h7-10,12-13,17H,1-6H3,(H,18,19)/t12-,13?/m0/s1.
What are the key properties of N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide?
N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 81361059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).