N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C22H29NO5 — CID 9262362

IUPACN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H29NO5/c1-14-7-9-18(25-3)17(11-14)15(2)23-21(24)10-8-16-12-19(26-4)22(28-6)20(13-16)27-5/h7,9,11-13,15H,8,10H2,1-6H3,(H,23,24)/t15-/m1/s1
InChIKeyBICJZTJVANSERE-OAHLLOKOSA-N
MW387.48 g/mol
LogP3.84
Rot. Bonds9

About N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 9262362) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID9262362
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H29NO5/c1-14-7-9-18(25-3)17(11-14)15(2)23-21(24)10-8-16-12-19(26-4)22(28-6)20(13-16)27-5/h7,9,11-13,15H,8,10H2,1-6H3,(H,23,24)/t15-/m1/s1
InChIKeyBICJZTJVANSERE-OAHLLOKOSA-N
XLogP3.84
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119179775
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33466694
3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51078699

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 9262362) is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is BICJZTJVANSERE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H29NO5/c1-14-7-9-18(25-3)17(11-14)15(2)23-21(24)10-8-16-12-19(26-4)22(28-6)20(13-16)27-5/h7,9,11-13,15H,8,10H2,1-6H3,(H,23,24)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 387.48 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 9262362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).