3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide

C20H26N2O2 — CID 119714355

IUPAC3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
SMILESCCCOc1ccc(CNC(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-13-24-18-11-9-16(10-12-18)14-22-20(23)15(2)19(21)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14,21H2,1-2H3,(H,22,23)
InChIKeyMWDTZTSAPDPAIU-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.43
Rot. Bonds8

About 3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide

3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide (PubChem CID 119714355) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
PubChem CID119714355
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
SMILESCCCOc1ccc(CNC(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-13-24-18-11-9-16(10-12-18)14-22-20(23)15(2)19(21)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14,21H2,1-2H3,(H,22,23)
InChIKeyMWDTZTSAPDPAIU-UHFFFAOYSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
2-chloro-N-[(4-propoxyphenyl)methyl]propanamide
CID 82109238
3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide
CID 119715007
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
3-amino-2-methyl-3-phenyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 119699216
3-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119858619
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119727868
N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
CID 129058692
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119712627
3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119712578

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide (CID 119714355) is 3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide is CCCOc1ccc(CNC(=O)C(C)C(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide?
The InChIKey is MWDTZTSAPDPAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-13-24-18-11-9-16(10-12-18)14-22-20(23)15(2)19(21)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14,21H2,1-2H3,(H,22,23).
What are the key properties of 3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide?
3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide is sourced from PubChem (CID 119714355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).