N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide

C17H28N2O2 — CID 115889425

IUPACN-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
SMILESCOc1ccc(CC(C)NCCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-13(12-14-6-8-15(21-5)9-7-14)18-11-10-16(20)19-17(2,3)4/h6-9,13,18H,10-12H2,1-5H3,(H,19,20)
InChIKeyPMOJTLXZEYNZRD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.52
Rot. Bonds7

About N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide

N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide (PubChem CID 115889425) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
PubChem CID115889425
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
SMILESCOc1ccc(CC(C)NCCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-13(12-14-6-8-15(21-5)9-7-14)18-11-10-16(20)19-17(2,3)4/h6-9,13,18H,10-12H2,1-5H3,(H,19,20)
InChIKeyPMOJTLXZEYNZRD-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115711920
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115676858
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 115706324
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
CID 103522146
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
2-[1-(4-methoxyphenyl)propan-2-ylamino]-N,N-dimethylacetamide
CID 43508841
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide (CID 115889425) is N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide is COc1ccc(CC(C)NCCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide?
The InChIKey is PMOJTLXZEYNZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(12-14-6-8-15(21-5)9-7-14)18-11-10-16(20)19-17(2,3)4/h6-9,13,18H,10-12H2,1-5H3,(H,19,20).
What are the key properties of N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide?
N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.52, 7 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-(4-methoxyphenyl)propan-2-ylamino]propanamide is sourced from PubChem (CID 115889425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).