1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea

C11H23N3O — CID 114794047

IUPAC1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
SMILESCCN(CC)C(=O)NCCC1CCCN1
InChIInChI=1S/C11H23N3O/c1-3-14(4-2)11(15)13-9-7-10-6-5-8-12-10/h10,12H,3-9H2,1-2H3,(H,13,15)
InChIKeyMQRSIVFKUPURLI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds5

About 1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea

1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea (PubChem CID 114794047) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
PubChem CID114794047
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
SMILESCCN(CC)C(=O)NCCC1CCCN1
InChIInChI=1S/C11H23N3O/c1-3-14(4-2)11(15)13-9-7-10-6-5-8-12-10/h10,12H,3-9H2,1-2H3,(H,13,15)
InChIKeyMQRSIVFKUPURLI-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794049
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
1,3-diethyl-1-(piperidin-2-ylmethyl)urea
CID 106629771
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea (CID 114794047) is 1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea is CCN(CC)C(=O)NCCC1CCCN1.
What is the InChIKey of 1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea?
The InChIKey is MQRSIVFKUPURLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-14(4-2)11(15)13-9-7-10-6-5-8-12-10/h10,12H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea?
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea is sourced from PubChem (CID 114794047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).