N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide

C16H26N2O2 — CID 115676858

IUPACN-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
SMILESCOc1cccc(C(C)NCCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(13-7-6-8-14(11-13)20-5)17-10-9-15(19)18-16(2,3)4/h6-8,11-12,17H,9-10H2,1-5H3,(H,18,19)
InChIKeyCCDPRBZUHHCHNE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.65
Rot. Bonds6

About N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide

N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide (PubChem CID 115676858) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
PubChem CID115676858
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
SMILESCOc1cccc(C(C)NCCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(13-7-6-8-14(11-13)20-5)17-10-9-15(19)18-16(2,3)4/h6-8,11-12,17H,9-10H2,1-5H3,(H,18,19)
InChIKeyCCDPRBZUHHCHNE-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide
CID 115605352
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
4-[1-(3-methoxyphenyl)ethylamino]butanoic acid
CID 54920471
tert-butyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103821967
2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210619
4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81372994
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115588995
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81373699
3-[1-(3-methoxyphenyl)ethylamino]propane-1-sulfinic acid
CID 143275367

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide (CID 115676858) is N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide is COc1cccc(C(C)NCCC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide?
The InChIKey is CCDPRBZUHHCHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(13-7-6-8-14(11-13)20-5)17-10-9-15(19)18-16(2,3)4/h6-8,11-12,17H,9-10H2,1-5H3,(H,18,19).
What are the key properties of N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide?
N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 115676858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).