1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea

C19H21N3O2 — CID 915861

IUPAC1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea
SMILESO=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)Nc1cccc2ccccc12
InChIInChI=1S/C19H21N3O2/c23-18(17-14-9-3-4-10-15(14)17)21-22-19(24)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-2,5-8,11,14-15,17H,3-4,9-10H2,(H,21,23)(H2,20,22,24)/t14-,15+,17?
InChIKeyBEHBQKGBIHFATN-FKEKPDDDSA-N
MW323.40 g/mol
LogP3.43
Rot. Bonds2

About 1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea

1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea (PubChem CID 915861) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea
PubChem CID915861
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea
SMILESO=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)Nc1cccc2ccccc12
InChIInChI=1S/C19H21N3O2/c23-18(17-14-9-3-4-10-15(14)17)21-22-19(24)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-2,5-8,11,14-15,17H,3-4,9-10H2,(H,21,23)(H2,20,22,24)/t14-,15+,17?
InChIKeyBEHBQKGBIHFATN-FKEKPDDDSA-N
XLogP3.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea (CID 915861) is 1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea is O=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)Nc1cccc2ccccc12.
What is the InChIKey of 1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea?
The InChIKey is BEHBQKGBIHFATN-FKEKPDDDSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(17-14-9-3-4-10-15(14)17)21-22-19(24)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-2,5-8,11,14-15,17H,3-4,9-10H2,(H,21,23)(H2,20,22,24)/t14-,15+,17?.
What are the key properties of 1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea?
1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea has a molecular weight of 323.40 g/mol, XLogP of 3.43, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea is sourced from PubChem (CID 915861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).