3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide

C19H24N2O2 — CID 119715007

IUPAC3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide
SMILESCCCOc1cccc(NC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-3-12-23-17-11-7-10-16(13-17)21-19(22)14(2)18(20)15-8-5-4-6-9-15/h4-11,13-14,18H,3,12,20H2,1-2H3,(H,21,22)
InChIKeyYLLFGMVPNVPDBP-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.75
Rot. Bonds7

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

3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide (PubChem CID 119715007) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide
PubChem CID119715007
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide
SMILESCCCOc1cccc(NC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-3-12-23-17-11-7-10-16(13-17)21-19(22)14(2)18(20)15-8-5-4-6-9-15/h4-11,13-14,18H,3,12,20H2,1-2H3,(H,21,22)
InChIKeyYLLFGMVPNVPDBP-UHFFFAOYSA-N
XLogP3.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64894519
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3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
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(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
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(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
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3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
2-(1-phenylpropylamino)-N-(3-propoxyphenyl)acetamide
CID 54845702
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
N-(3-hexoxyphenyl)-2-phenoxypropanamide
CID 17094791
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
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CID 43369471

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide (CID 119715007) is 3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide is CCCOc1cccc(NC(=O)C(C)C(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide?
The InChIKey is YLLFGMVPNVPDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-12-23-17-11-7-10-16(13-17)21-19(22)14(2)18(20)15-8-5-4-6-9-15/h4-11,13-14,18H,3,12,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide?
3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.75, 7 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-(3-propoxyphenyl)propanamide is sourced from PubChem (CID 119715007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).