1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea

C14H25N3O2 — CID 128733061

IUPAC1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea
SMILESO=C1CC(CNC(=O)NCC2CCCCCC2)CN1
InChIInChI=1S/C14H25N3O2/c18-13-7-12(9-15-13)10-17-14(19)16-8-11-5-3-1-2-4-6-11/h11-12H,1-10H2,(H,15,18)(H2,16,17,19)
InChIKeyQOZBIRZXYNAJEB-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.39
Rot. Bonds4

About 1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea

1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea (PubChem CID 128733061) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea
PubChem CID128733061
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea
SMILESO=C1CC(CNC(=O)NCC2CCCCCC2)CN1
InChIInChI=1S/C14H25N3O2/c18-13-7-12(9-15-13)10-17-14(19)16-8-11-5-3-1-2-4-6-11/h11-12H,1-10H2,(H,15,18)(H2,16,17,19)
InChIKeyQOZBIRZXYNAJEB-UHFFFAOYSA-N
XLogP1.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea
CID 164636939
1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea
CID 131223521
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonane-2-carboxamide
CID 164636947
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
5-(cyclopentylmethylamino)piperidin-2-one
CID 63661692
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426766
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)-2-(cyclohexylmethylcarbamoylamino)acetamide
CID 156598191
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea (CID 128733061) is 1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea is O=C1CC(CNC(=O)NCC2CCCCCC2)CN1.
What is the InChIKey of 1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea?
The InChIKey is QOZBIRZXYNAJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-13-7-12(9-15-13)10-17-14(19)16-8-11-5-3-1-2-4-6-11/h11-12H,1-10H2,(H,15,18)(H2,16,17,19).
What are the key properties of 1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea?
1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea has a molecular weight of 267.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylmethyl)-3-[(5-oxopyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 128733061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).