(3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate

C16H24N2O3 — CID 59994570

IUPAC(3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate
SMILESCCCc1cccc(OC(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c1-2-4-14-5-3-6-15(13-14)21-16(19)17-7-8-18-9-11-20-12-10-18/h3,5-6,13H,2,4,7-12H2,1H3,(H,17,19)
InChIKeyNNFUCZRKINBBDB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.06
Rot. Bonds6

About (3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate

(3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 59994570) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

Compound Name(3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate
PubChem CID59994570
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate
SMILESCCCc1cccc(OC(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c1-2-4-14-5-3-6-15(13-14)21-16(19)17-7-8-18-9-11-20-12-10-18/h3,5-6,13H,2,4,7-12H2,1H3,(H,17,19)
InChIKeyNNFUCZRKINBBDB-UHFFFAOYSA-N
XLogP2.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate?
The IUPAC name of (3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate (CID 59994570) is (3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate.
What is the SMILES notation for (3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate?
The canonical SMILES for (3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate is CCCc1cccc(OC(=O)NCCN2CCOCC2)c1.
What is the InChIKey of (3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate?
The InChIKey is NNFUCZRKINBBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-4-14-5-3-6-15(13-14)21-16(19)17-7-8-18-9-11-20-12-10-18/h3,5-6,13H,2,4,7-12H2,1H3,(H,17,19).
What are the key properties of (3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate?
(3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylphenyl) N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 59994570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).