[3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate

C22H30N2O3 — CID 20872706

IUPAC[3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate
SMILESCCCCOc1ccc(C(CC)NC(=O)Oc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C22H30N2O3/c1-5-7-15-26-19-13-11-17(12-14-19)21(6-2)23-22(25)27-20-10-8-9-18(16-20)24(3)4/h8-14,16,21H,5-7,15H2,1-4H3,(H,23,25)
InChIKeyDHSNZVVWPBPPJP-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.17
Rot. Bonds9

About [3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate

[3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate (PubChem CID 20872706) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate
PubChem CID20872706
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name[3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate
SMILESCCCCOc1ccc(C(CC)NC(=O)Oc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C22H30N2O3/c1-5-7-15-26-19-13-11-17(12-14-19)21(6-2)23-22(25)27-20-10-8-9-18(16-20)24(3)4/h8-14,16,21H,5-7,15H2,1-4H3,(H,23,25)
InChIKeyDHSNZVVWPBPPJP-UHFFFAOYSA-N
XLogP5.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 24744
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(S)-Benzyl (6-acetamido-1-((4-methyl-2-oxo-2H-chromen-7-yl)amino)-1-oxohexan-2-yl)carbamate
CID 10435243
methyl (2S)-2-amino-4-{[3-(benzyloxy)phenyl]carbamoyl}butanoate
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CID 46080

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate?
The IUPAC name of [3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate (CID 20872706) is [3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate.
What is the SMILES notation for [3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate?
The canonical SMILES for [3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate is CCCCOc1ccc(C(CC)NC(=O)Oc2cccc(N(C)C)c2)cc1.
What is the InChIKey of [3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate?
The InChIKey is DHSNZVVWPBPPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-7-15-26-19-13-11-17(12-14-19)21(6-2)23-22(25)27-20-10-8-9-18(16-20)24(3)4/h8-14,16,21H,5-7,15H2,1-4H3,(H,23,25).
What are the key properties of [3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate?
[3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate has a molecular weight of 370.49 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl] N-[1-(4-butoxyphenyl)propyl]carbamate is sourced from PubChem (CID 20872706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).