(1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

C29H33NO3 — CID 2267275

IUPAC(1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(CCCNC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1OC
InChIInChI=1S/C29H33NO3/c1-20-8-5-11-23(16-20)29(24-12-6-9-21(2)17-24)19-25(29)28(31)30-15-7-10-22-13-14-26(32-3)27(18-22)33-4/h5-6,8-9,11-14,16-18,25H,7,10,15,19H2,1-4H3,(H,30,31)/t25-/m1/s1
InChIKeyVFJSFQDNDBTKRC-RUZDIDTESA-N
MW443.59 g/mol
LogP5.38
Rot. Bonds9

About (1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

(1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 2267275) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is (1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID2267275
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC Name(1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(CCCNC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1OC
InChIInChI=1S/C29H33NO3/c1-20-8-5-11-23(16-20)29(24-12-6-9-21(2)17-24)19-25(29)28(31)30-15-7-10-22-13-14-26(32-3)27(18-22)33-4/h5-6,8-9,11-14,16-18,25H,7,10,15,19H2,1-4H3,(H,30,31)/t25-/m1/s1
InChIKeyVFJSFQDNDBTKRC-RUZDIDTESA-N
XLogP5.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)cyclopropane-1-carboxamide
CID 23051246
(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 1042371
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
N-[3-(3,4-dimethoxyphenyl)propyl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 136514338
1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
CID 90949774
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,4-dimethylphenyl)acetamide
CID 100514824
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-(2-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 3101393
(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95086958
3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide
CID 84533270
N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 48568258
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (CID 2267275) is (1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is COc1ccc(CCCNC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1OC.
What is the InChIKey of (1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is VFJSFQDNDBTKRC-RUZDIDTESA-N. The full InChI is InChI=1S/C29H33NO3/c1-20-8-5-11-23(16-20)29(24-12-6-9-21(2)17-24)19-25(29)28(31)30-15-7-10-22-13-14-26(32-3)27(18-22)33-4/h5-6,8-9,11-14,16-18,25H,7,10,15,19H2,1-4H3,(H,30,31)/t25-/m1/s1.
What are the key properties of (1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
(1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 2267275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).