15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate

C20H17NO2 — CID 88537918

IUPAC15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc2c(ccc3c4c(ccc32)C=CC4)c1
InChIInChI=1S/C20H17NO2/c1-2-21-20(22)23-15-8-11-17-14(12-15)7-10-18-16-5-3-4-13(16)6-9-19(17)18/h3-4,6-12H,2,5H2,1H3,(H,21,22)
InChIKeyZCUAOJBBRYGZGI-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.67
Rot. Bonds2

About 15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate

15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate (PubChem CID 88537918) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate.

Molecular Properties

Compound Name15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate
PubChem CID88537918
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc2c(ccc3c4c(ccc32)C=CC4)c1
InChIInChI=1S/C20H17NO2/c1-2-21-20(22)23-15-8-11-17-14(12-15)7-10-18-16-5-3-4-13(16)6-9-19(17)18/h3-4,6-12H,2,5H2,1H3,(H,21,22)
InChIKeyZCUAOJBBRYGZGI-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

15H-cyclopenta[a]phenanthren-3-yl 2-methylbenzoate
CID 88537801
15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 168917795
15H-cyclopenta[a]phenanthren-3-yl 5-[[8-[(4-methoxyphenyl)methoxycarbonylamino]-8-methylnonyl]-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-5-oxopentanoate
CID 170160695
3H-indeno[4,5-h]quinoline-7-carboxylic acid
CID 141208489
3H-inden-5-yl benzoate
CID 59450529
[3-(C-chloro-N-hydroxycarbonimidoyl)phenyl] N-ethylcarbamate
CID 88546041
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
2-[3-(ethylcarbamoyloxy)phenyl]acetic acid
CID 144799433
[4-(ethylcarbamoyl)phenyl] N-fluorocarbamate
CID 59335547
[4-(2-aminoethyl)phenyl] N-ethylcarbamate
CID 79337248
[3-(diethylamino)phenyl] N-ethylcarbamate;iodomethane
CID 23621882
3-(naphthalen-2-yloxycarbonylamino)propanoic acid
CID 82300933

Frequently Asked Questions

What is the IUPAC name of 15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate?
The IUPAC name of 15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate (CID 88537918) is 15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate.
What is the SMILES notation for 15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate?
The canonical SMILES for 15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate is CCNC(=O)Oc1ccc2c(ccc3c4c(ccc32)C=CC4)c1.
What is the InChIKey of 15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate?
The InChIKey is ZCUAOJBBRYGZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-2-21-20(22)23-15-8-11-17-14(12-15)7-10-18-16-5-3-4-13(16)6-9-19(17)18/h3-4,6-12H,2,5H2,1H3,(H,21,22).
What are the key properties of 15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate?
15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate has a molecular weight of 303.36 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15H-cyclopenta[a]phenanthren-3-yl N-ethylcarbamate is sourced from PubChem (CID 88537918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).