ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate

C15H21N3O3 — CID 60579128

IUPACethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)17-16-14(19)13-9-6-10-18(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyNUGWHEXGFNTKCE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.43
Rot. Bonds4

About ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate

ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate (PubChem CID 60579128) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
PubChem CID60579128
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)17-16-14(19)13-9-6-10-18(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyNUGWHEXGFNTKCE-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-3-phenylthiourea
CID 102344784
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
CID 97249158
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 129392844
1-benzyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrrolidine-2-carbohydrazide
CID 60578936
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate?
The IUPAC name of ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate (CID 60579128) is ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate.
What is the SMILES notation for ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate?
The canonical SMILES for ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate is CCOC(=O)NNC(=O)C1CCCN1Cc1ccccc1.
What is the InChIKey of ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate?
The InChIKey is NUGWHEXGFNTKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-15(20)17-16-14(19)13-9-6-10-18(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate?
ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate has a molecular weight of 291.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate is sourced from PubChem (CID 60579128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).