tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate

C16H23N3O3 — CID 86716672

IUPACtert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)Nc2ccccc2)CCNC1
InChIInChI=1S/C16H23N3O3/c1-15(2,3)22-14(21)19-16(9-10-17-11-16)13(20)18-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyXKMZUERDIIIKHL-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate (PubChem CID 86716672) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
PubChem CID86716672
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)Nc2ccccc2)CCNC1
InChIInChI=1S/C16H23N3O3/c1-15(2,3)22-14(21)19-16(9-10-17-11-16)13(20)18-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyXKMZUERDIIIKHL-UHFFFAOYSA-N
XLogP1.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 66921345
tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate
CID 70294522
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid
CID 40630548
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
(2E)-2-[[4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutanecarbonyl]amino]phenyl]methylidene]butanoic acid
CID 66795276
ethyl (E)-3-[4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoate
CID 58826723
tert-butyl N-[1-(1-hydroxyethenyl)cyclopropyl]carbamate
CID 70266871
tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate
CID 100780782
bis(methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate);oxalate
CID 126961471
tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate
CID 118542732
tert-butyl N-[(3R)-3-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamate
CID 129188383
tert-butyl N-[(3S)-3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 92825862

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate (CID 86716672) is tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)Nc2ccccc2)CCNC1.
What is the InChIKey of tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate?
The InChIKey is XKMZUERDIIIKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-15(2,3)22-14(21)19-16(9-10-17-11-16)13(20)18-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 86716672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).