1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea

C23H26N2O2 — CID 95570542

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea
SMILESO=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)N(CCO)C1CC1
InChIInChI=1S/C23H26N2O2/c26-12-11-25(16-9-10-16)23(27)24-14-15-13-21-17-5-1-3-7-19(17)22(15)20-8-4-2-6-18(20)21/h1-8,15-16,21-22,26H,9-14H2,(H,24,27)/t15-,21?,22?/m1/s1
InChIKeyYMHCLKGMQJXBAS-IYJORBIASA-N
MW362.47 g/mol
LogP3.45
Rot. Bonds5

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea (PubChem CID 95570542) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea
PubChem CID95570542
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea
SMILESO=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)N(CCO)C1CC1
InChIInChI=1S/C23H26N2O2/c26-12-11-25(16-9-10-16)23(27)24-14-15-13-21-17-5-1-3-7-19(17)22(15)20-8-4-2-6-18(20)21/h1-8,15-16,21-22,26H,9-14H2,(H,24,27)/t15-,21?,22?/m1/s1
InChIKeyYMHCLKGMQJXBAS-IYJORBIASA-N
XLogP3.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea (CID 95570542) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea is O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea?
The InChIKey is YMHCLKGMQJXBAS-IYJORBIASA-N. The full InChI is InChI=1S/C23H26N2O2/c26-12-11-25(16-9-10-16)23(27)24-14-15-13-21-17-5-1-3-7-19(17)22(15)20-8-4-2-6-18(20)21/h1-8,15-16,21-22,26H,9-14H2,(H,24,27)/t15-,21?,22?/m1/s1.
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea has a molecular weight of 362.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea is sourced from PubChem (CID 95570542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).