N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide

C28H31N3O4 — CID 27769915

IUPACN-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
SMILESCOc1cccc([C@H](CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)N2CCCC2)c1
InChIInChI=1S/C28H31N3O4/c1-34-25-11-7-8-22(18-25)26(31-16-5-6-17-31)19-29-27(32)20-30-28(33)21-12-14-24(15-13-21)35-23-9-3-2-4-10-23/h2-4,7-15,18,26H,5-6,16-17,19-20H2,1H3,(H,29,32)(H,30,33)/t26-/m0/s1
InChIKeyBBAHTEQCMGEPKW-SANMLTNESA-N
MW473.57 g/mol
LogP4.17
Rot. Bonds10

About N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide

N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 27769915) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
PubChem CID27769915
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
SMILESCOc1cccc([C@H](CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)N2CCCC2)c1
InChIInChI=1S/C28H31N3O4/c1-34-25-11-7-8-22(18-25)26(31-16-5-6-17-31)19-29-27(32)20-30-28(33)21-12-14-24(15-13-21)35-23-9-3-2-4-10-23/h2-4,7-15,18,26H,5-6,16-17,19-20H2,1H3,(H,29,32)(H,30,33)/t26-/m0/s1
InChIKeyBBAHTEQCMGEPKW-SANMLTNESA-N
XLogP4.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005704
2-(2-methoxyethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832222
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
3-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119952738
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 78784235
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide
CID 51947652
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide (CID 27769915) is N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide is COc1cccc([C@H](CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)N2CCCC2)c1.
What is the InChIKey of N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is BBAHTEQCMGEPKW-SANMLTNESA-N. The full InChI is InChI=1S/C28H31N3O4/c1-34-25-11-7-8-22(18-25)26(31-16-5-6-17-31)19-29-27(32)20-30-28(33)21-12-14-24(15-13-21)35-23-9-3-2-4-10-23/h2-4,7-15,18,26H,5-6,16-17,19-20H2,1H3,(H,29,32)(H,30,33)/t26-/m0/s1.
What are the key properties of N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 473.57 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide is sourced from PubChem (CID 27769915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).