tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate

C17H26N2O3 — CID 107239959

IUPACtert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate
SMILESCOCC(Nc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-14-7-5-6-13(10-14)18-15(11-21-4)12-8-9-12/h5-7,10,12,15,18H,8-9,11H2,1-4H3,(H,19,20)
InChIKeyAHLWBQKDNWBWDW-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.87
Rot. Bonds6

About tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate

tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate (PubChem CID 107239959) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate
PubChem CID107239959
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate
SMILESCOCC(Nc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-14-7-5-6-13(10-14)18-15(11-21-4)12-8-9-12/h5-7,10,12,15,18H,8-9,11H2,1-4H3,(H,19,20)
InChIKeyAHLWBQKDNWBWDW-UHFFFAOYSA-N
XLogP3.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate
CID 107239913
tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate
CID 107240818
methyl N-[3-(dicyclopropylmethylamino)phenyl]carbamate
CID 54864283
tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate
CID 97307154
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoic acid
CID 107239920
tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate
CID 107237163
tert-butyl N-[3-[[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophene-2-carbonyl]amino]phenyl]carbamate
CID 166780032
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
CID 130632560
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate (CID 107239959) is tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate is COCC(Nc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1.
What is the InChIKey of tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate?
The InChIKey is AHLWBQKDNWBWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-14-7-5-6-13(10-14)18-15(11-21-4)12-8-9-12/h5-7,10,12,15,18H,8-9,11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate?
tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate is sourced from PubChem (CID 107239959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).