(3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide

C21H26N2O2 — CID 70218111

IUPAC(3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide
SMILESCOc1cccc([C@H](N)CC(=O)N(C)C[C@@H]2C[C@H]2c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-23(14-17-12-19(17)15-7-4-3-5-8-15)21(24)13-20(22)16-9-6-10-18(11-16)25-2/h3-11,17,19-20H,12-14,22H2,1-2H3/t17-,19-,20+/m0/s1
InChIKeyQGMGWNOBPBSASS-YSIASYRMSA-N
MW338.45 g/mol
LogP3.35
Rot. Bonds7

About (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide

(3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide (PubChem CID 70218111) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide
PubChem CID70218111
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide
SMILESCOc1cccc([C@H](N)CC(=O)N(C)C[C@@H]2C[C@H]2c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-23(14-17-12-19(17)15-7-4-3-5-8-15)21(24)13-20(22)16-9-6-10-18(11-16)25-2/h3-11,17,19-20H,12-14,22H2,1-2H3/t17-,19-,20+/m0/s1
InChIKeyQGMGWNOBPBSASS-YSIASYRMSA-N
XLogP3.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide with MolForge

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Related Compounds

[2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid
CID 89499594
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
N-(3,5-dimethoxyphenyl)-N-methyl-2-[(1S,2R)-2-phenylcyclopropyl]acetamide
CID 126798924
3-cyclopropyl-3-[3-[[2-(3-methoxyphenyl)cyclopropyl]methoxy]phenyl]propanoic acid
CID 118296149
tert-butyl (3S)-3-amino-3-(3-methoxyphenyl)propanoate
CID 54039799
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119949182
1-hydroxy-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]urea
CID 15015094
1-hydroxy-1-[[2-[4-(1-phenylethoxy)phenyl]cyclopropyl]methyl]urea
CID 19894164

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide?
The IUPAC name of (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide (CID 70218111) is (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide.
What is the SMILES notation for (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide?
The canonical SMILES for (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide is COc1cccc([C@H](N)CC(=O)N(C)C[C@@H]2C[C@H]2c2ccccc2)c1.
What is the InChIKey of (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide?
The InChIKey is QGMGWNOBPBSASS-YSIASYRMSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(14-17-12-19(17)15-7-4-3-5-8-15)21(24)13-20(22)16-9-6-10-18(11-16)25-2/h3-11,17,19-20H,12-14,22H2,1-2H3/t17-,19-,20+/m0/s1.
What are the key properties of (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide?
(3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide is sourced from PubChem (CID 70218111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).