1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea

C16H22N2O — CID 98258446

IUPAC1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
SMILESC[C@H](NC(=O)Nc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H22N2O/c1-11(15-10-12-7-8-13(15)9-12)17-16(19)18-14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H2,17,18,19)/t11-,12-,13-,15+/m0/s1
InChIKeyKVGMTVUPUOMKSE-PWNZVWSESA-N
MW258.37 g/mol
LogP3.63
Rot. Bonds3

About 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea

1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea (PubChem CID 98258446) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
PubChem CID98258446
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
SMILESC[C@H](NC(=O)Nc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H22N2O/c1-11(15-10-12-7-8-13(15)9-12)17-16(19)18-14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H2,17,18,19)/t11-,12-,13-,15+/m0/s1
InChIKeyKVGMTVUPUOMKSE-PWNZVWSESA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea 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

1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3-methylphenyl)urea
CID 98329753
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea
CID 3091316
4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 46561078
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-bromophenyl)urea
CID 98448632
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228227
1-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228228
1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 98159873
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-naphthalen-1-ylurea
CID 18285320
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,3-dimethylphenyl)urea
CID 6465340
1-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 98592255
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
2-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide
CID 47033715

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea?
The IUPAC name of 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea (CID 98258446) is 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea?
The canonical SMILES for 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea is C[C@H](NC(=O)Nc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea?
The InChIKey is KVGMTVUPUOMKSE-PWNZVWSESA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(15-10-12-7-8-13(15)9-12)17-16(19)18-14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H2,17,18,19)/t11-,12-,13-,15+/m0/s1.
What are the key properties of 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea?
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea has a molecular weight of 258.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea is sourced from PubChem (CID 98258446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).