3-phenylpropyl N-(3-cycloheptylpropyl)carbamate

C20H31NO2 — CID 54329594

IUPAC3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
SMILESO=C(NCCCC1CCCCCC1)OCCCc1ccccc1
InChIInChI=1S/C20H31NO2/c22-20(23-17-9-15-19-12-6-3-7-13-19)21-16-8-14-18-10-4-1-2-5-11-18/h3,6-7,12-13,18H,1-2,4-5,8-11,14-17H2,(H,21,22)
InChIKeyUEDJYILSRQHKPF-UHFFFAOYSA-N
MW317.47 g/mol
LogP5.10
Rot. Bonds8

About 3-phenylpropyl N-(3-cycloheptylpropyl)carbamate

3-phenylpropyl N-(3-cycloheptylpropyl)carbamate (PubChem CID 54329594) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 3-phenylpropyl N-(3-cycloheptylpropyl)carbamate.

Molecular Properties

Compound Name3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
PubChem CID54329594
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
SMILESO=C(NCCCC1CCCCCC1)OCCCc1ccccc1
InChIInChI=1S/C20H31NO2/c22-20(23-17-9-15-19-12-6-3-7-13-19)21-16-8-14-18-10-4-1-2-5-11-18/h3,6-7,12-13,18H,1-2,4-5,8-11,14-17H2,(H,21,22)
InChIKeyUEDJYILSRQHKPF-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylpropyl N-(2-cyclopentylethyl)carbamate
CID 54331746
2-phenylethyl N-(2-cycloheptylethyl)carbamate
CID 54473124
2-phenylethyl N-(2-cyclopentylethyl)carbamate
CID 54511060
2-phenylethyl N-(cyclopentylmethyl)carbamate
CID 57081280
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
CID 10882540
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
CID 87007292
butyl N-(5-phenylpentyl)carbamate
CID 69404409

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl N-(3-cycloheptylpropyl)carbamate?
The IUPAC name of 3-phenylpropyl N-(3-cycloheptylpropyl)carbamate (CID 54329594) is 3-phenylpropyl N-(3-cycloheptylpropyl)carbamate.
What is the SMILES notation for 3-phenylpropyl N-(3-cycloheptylpropyl)carbamate?
The canonical SMILES for 3-phenylpropyl N-(3-cycloheptylpropyl)carbamate is O=C(NCCCC1CCCCCC1)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl N-(3-cycloheptylpropyl)carbamate?
The InChIKey is UEDJYILSRQHKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c22-20(23-17-9-15-19-12-6-3-7-13-19)21-16-8-14-18-10-4-1-2-5-11-18/h3,6-7,12-13,18H,1-2,4-5,8-11,14-17H2,(H,21,22).
What are the key properties of 3-phenylpropyl N-(3-cycloheptylpropyl)carbamate?
3-phenylpropyl N-(3-cycloheptylpropyl)carbamate has a molecular weight of 317.47 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl N-(3-cycloheptylpropyl)carbamate is sourced from PubChem (CID 54329594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).