[2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate

C34H33N3O3 — CID 6737417

IUPAC[2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate
SMILESCCn1c2ccccc2c2cc(CN3CCC(NC(=O)c4ccccc4COC(=O)c4ccccc4)C3)ccc21
InChIInChI=1S/C34H33N3O3/c1-2-37-31-15-9-8-14-29(31)30-20-24(16-17-32(30)37)21-36-19-18-27(22-36)35-33(38)28-13-7-6-12-26(28)23-40-34(39)25-10-4-3-5-11-25/h3-17,20,27H,2,18-19,21-23H2,1H3,(H,35,38)
InChIKeyUNFSAMFMKWTDDF-UHFFFAOYSA-N
MW531.66 g/mol
LogP6.18
Rot. Bonds8

About [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate

[2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate (PubChem CID 6737417) has the molecular formula C34H33N3O3 and a molecular weight of 531.66 g/mol. Its IUPAC name is [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate.

Molecular Properties

Compound Name[2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate
PubChem CID6737417
Molecular FormulaC34H33N3O3
Molecular Weight531.66 g/mol
Exact Mass531.25
IUPAC Name[2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate
SMILESCCn1c2ccccc2c2cc(CN3CCC(NC(=O)c4ccccc4COC(=O)c4ccccc4)C3)ccc21
InChIInChI=1S/C34H33N3O3/c1-2-37-31-15-9-8-14-29(31)30-20-24(16-17-32(30)37)21-36-19-18-27(22-36)35-33(38)28-13-7-6-12-26(28)23-40-34(39)25-10-4-3-5-11-25/h3-17,20,27H,2,18-19,21-23H2,1H3,(H,35,38)
InChIKeyUNFSAMFMKWTDDF-UHFFFAOYSA-N
XLogP6.18
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate with MolForge

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Related Compounds

(3-methoxy-4-nitrophenyl)methyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate
CID 6733849
1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate
CID 11628735
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
ethyl 8-chloro-4-[2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyloxy]ethyl-methylamino]-2-methylsulfanylquinoline-3-carboxylate
CID 6734993
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
4-(azepan-1-yl)-1-[3-[(3S)-1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]oxyphenyl]butan-1-one
CID 58356680
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 6733236
N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18156454
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344

Frequently Asked Questions

What is the IUPAC name of [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate?
The IUPAC name of [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate (CID 6737417) is [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate.
What is the SMILES notation for [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate?
The canonical SMILES for [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate is CCn1c2ccccc2c2cc(CN3CCC(NC(=O)c4ccccc4COC(=O)c4ccccc4)C3)ccc21.
What is the InChIKey of [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate?
The InChIKey is UNFSAMFMKWTDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O3/c1-2-37-31-15-9-8-14-29(31)30-20-24(16-17-32(30)37)21-36-19-18-27(22-36)35-33(38)28-13-7-6-12-26(28)23-40-34(39)25-10-4-3-5-11-25/h3-17,20,27H,2,18-19,21-23H2,1H3,(H,35,38).
What are the key properties of [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate?
[2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate has a molecular weight of 531.66 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate is sourced from PubChem (CID 6737417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).