tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate

C19H32N2O2 — CID 107242592

IUPACtert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate
SMILESCCc1ccc(CNCCCN(CC)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-6-16-9-11-17(12-10-16)15-20-13-8-14-21(7-2)18(22)23-19(3,4)5/h9-12,20H,6-8,13-15H2,1-5H3
InChIKeyRJRCIDPWSRDHPO-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.99
Rot. Bonds8

About tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate

tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate (PubChem CID 107242592) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate
PubChem CID107242592
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate
SMILESCCc1ccc(CNCCCN(CC)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-6-16-9-11-17(12-10-16)15-20-13-8-14-21(7-2)18(22)23-19(3,4)5/h9-12,20H,6-8,13-15H2,1-5H3
InChIKeyRJRCIDPWSRDHPO-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[(2,3-dimethylphenyl)methylamino]propyl]-N-ethylcarbamate
CID 107242777
tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate
CID 107245270
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-propyl-N-[2-(pyridin-4-ylmethylamino)ethyl]carbamate
CID 103846743
tert-butyl N-[3-[[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]methylamino]propyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 11017061
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-[3-[[4-(dimethylamino)phenyl]methylamino]propyl]carbamate
CID 68693661
tert-butyl N-ethyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-(tritylamino)propyl]amino]butyl]carbamate
CID 101096516
tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate
CID 103781324
tert-butyl N-ethyl-N-[2-[(2,4,5-trimethylphenyl)methylamino]ethyl]carbamate
CID 107245427
tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 107446229
tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate
CID 107242750

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate (CID 107242592) is tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate is CCc1ccc(CNCCCN(CC)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate?
The InChIKey is RJRCIDPWSRDHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-6-16-9-11-17(12-10-16)15-20-13-8-14-21(7-2)18(22)23-19(3,4)5/h9-12,20H,6-8,13-15H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate?
tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate is sourced from PubChem (CID 107242592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).