N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide

C16H26N2O2 — CID 115588995

IUPACN-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
SMILESCOc1cccc(C(C)NC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11(13-8-7-9-14(10-13)20-6)17-12(2)15(19)18-16(3,4)5/h7-12,17H,1-6H3,(H,18,19)
InChIKeyXRLQMDFPJUMFBU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.65
Rot. Bonds5

About N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide

N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide (PubChem CID 115588995) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
PubChem CID115588995
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
SMILESCOc1cccc(C(C)NC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11(13-8-7-9-14(10-13)20-6)17-12(2)15(19)18-16(3,4)5/h7-12,17H,1-6H3,(H,18,19)
InChIKeyXRLQMDFPJUMFBU-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 81353670
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-tert-butylpropanamide
CID 115574026
N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115676858
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide (CID 115588995) is N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide is COc1cccc(C(C)NC(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide?
The InChIKey is XRLQMDFPJUMFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(13-8-7-9-14(10-13)20-6)17-12(2)15(19)18-16(3,4)5/h7-12,17H,1-6H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide?
N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 115588995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).