ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate

C23H29N3O4 — CID 46446884

IUPACethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCC(c2cccc(OC)c2)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O4/c1-3-30-23(28)25-19-11-9-17(10-12-19)22(27)24-16-21(26-13-4-5-14-26)18-7-6-8-20(15-18)29-2/h6-12,15,21H,3-5,13-14,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySYHGKWVMAZBRFL-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.83
Rot. Bonds8

About ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate

ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate (PubChem CID 46446884) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
PubChem CID46446884
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Nameethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCC(c2cccc(OC)c2)N2CCCC2)cc1
InChIInChI=1S/C23H29N3O4/c1-3-30-23(28)25-19-11-9-17(10-12-19)22(27)24-16-21(26-13-4-5-14-26)18-7-6-8-20(15-18)29-2/h6-12,15,21H,3-5,13-14,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySYHGKWVMAZBRFL-UHFFFAOYSA-N
XLogP3.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
CID 17484140
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005704
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46437989
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-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate (CID 46446884) is ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)NCC(c2cccc(OC)c2)N2CCCC2)cc1.
What is the InChIKey of ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate?
The InChIKey is SYHGKWVMAZBRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-30-23(28)25-19-11-9-17(10-12-19)22(27)24-16-21(26-13-4-5-14-26)18-7-6-8-20(15-18)29-2/h6-12,15,21H,3-5,13-14,16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate?
ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate has a molecular weight of 411.50 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 46446884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).