N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide

C16H24N2O2 — CID 115672820

IUPACN-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide
SMILESCCCOc1ccc(CNC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-10-20-15-8-4-13(5-9-15)11-17-12(2)16(19)18-14-6-7-14/h4-5,8-9,12,14,17H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeyFSIOMKUBRUEZGO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds8

About N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide

N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide (PubChem CID 115672820) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide
PubChem CID115672820
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide
SMILESCCCOc1ccc(CNC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-10-20-15-8-4-13(5-9-15)11-17-12(2)16(19)18-14-6-7-14/h4-5,8-9,12,14,17H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeyFSIOMKUBRUEZGO-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115588909
N,N-dimethyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 43573853
N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542148
methyl (2S)-2-[(4-pentoxyphenyl)methylamino]propanoate
CID 43723511
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
(1R)-1-cyclopentyl-N-[(4-pentoxyphenyl)methyl]ethanamine
CID 81389966
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87014322
(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81391494
2-[(4-propoxyphenyl)methylamino]propan-1-ol
CID 43499524
(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
N-cyclohexyl-4-propoxybenzamide
CID 4938429

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide (CID 115672820) is N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide is CCCOc1ccc(CNC(C)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide?
The InChIKey is FSIOMKUBRUEZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-20-15-8-4-13(5-9-15)11-17-12(2)16(19)18-14-6-7-14/h4-5,8-9,12,14,17H,3,6-7,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide?
N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 115672820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).