1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea

C17H24N2O2 — CID 98159873

IUPAC1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C17H24N2O2/c1-11(14-10-12-7-8-13(14)9-12)18-17(20)19-15-5-3-4-6-16(15)21-2/h3-6,11-14H,7-10H2,1-2H3,(H2,18,19,20)/t11-,12+,13+,14+/m0/s1
InChIKeyKSASYBXWKGARSH-REWJHTLYSA-N
MW288.39 g/mol
LogP3.64
Rot. Bonds4

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

1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 98159873) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
PubChem CID98159873
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C17H24N2O2/c1-11(14-10-12-7-8-13(14)9-12)18-17(20)19-15-5-3-4-6-16(15)21-2/h3-6,11-14H,7-10H2,1-2H3,(H2,18,19,20)/t11-,12+,13+,14+/m0/s1
InChIKeyKSASYBXWKGARSH-REWJHTLYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea with MolForge

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Related Compounds

1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-bromophenyl)urea
CID 98448632
1-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 98301037
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-naphthalen-1-ylurea
CID 18285320
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 46559779
3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 98750791
3-[2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 98750790
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,5-dimethoxyphenyl)oxamide
CID 108512002
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
methyl 2-[[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108512533
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55317585
N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
CID 46449850

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea (CID 98159873) is 1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of 1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is KSASYBXWKGARSH-REWJHTLYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(14-10-12-7-8-13(14)9-12)18-17(20)19-15-5-3-4-6-16(15)21-2/h3-6,11-14H,7-10H2,1-2H3,(H2,18,19,20)/t11-,12+,13+,14+/m0/s1.
What are the key properties of 1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea?
1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 288.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 98159873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).