2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate

C24H33N3O2 — CID 175009433

IUPAC2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate
SMILESCN(C)[C@H]1CCN(CCOC(=O)N(CCc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C24H33N3O2/c1-25(2)23-14-15-26(20-23)17-18-29-24(28)27(19-22-11-7-4-8-12-22)16-13-21-9-5-3-6-10-21/h3-12,23H,13-20H2,1-2H3/t23-/m0/s1
InChIKeyDPIPUVWGKGVLRP-QHCPKHFHSA-N
MW395.55 g/mol
LogP3.50
Rot. Bonds9

About 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate

2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate (PubChem CID 175009433) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate
PubChem CID175009433
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate
SMILESCN(C)[C@H]1CCN(CCOC(=O)N(CCc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C24H33N3O2/c1-25(2)23-14-15-26(20-23)17-18-29-24(28)27(19-22-11-7-4-8-12-22)16-13-21-9-5-3-6-10-21/h3-12,23H,13-20H2,1-2H3/t23-/m0/s1
InChIKeyDPIPUVWGKGVLRP-QHCPKHFHSA-N
XLogP3.50
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine;benzyl N-[2-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]phenyl]ethyl]carbamate
CID 162059553
2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175337647
2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11466741
2-morpholin-4-ylethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175010495
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566520
2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane
CID 21119463
methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate
CID 146418738
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 124756503
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate?
The IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate (CID 175009433) is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate.
What is the SMILES notation for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate?
The canonical SMILES for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate is CN(C)[C@H]1CCN(CCOC(=O)N(CCc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate?
The InChIKey is DPIPUVWGKGVLRP-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-25(2)23-14-15-26(20-23)17-18-29-24(28)27(19-22-11-7-4-8-12-22)16-13-21-9-5-3-6-10-21/h3-12,23H,13-20H2,1-2H3/t23-/m0/s1.
What are the key properties of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate?
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate has a molecular weight of 395.55 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 175009433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).