tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate

C17H26N2O2 — CID 97307154

IUPACtert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate
SMILESC[C@@H](NCc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1
InChIInChI=1S/C17H26N2O2/c1-12(14-8-9-14)18-11-13-6-5-7-15(10-13)19-16(20)21-17(2,3)4/h5-7,10,12,14,18H,8-9,11H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeyUTDUOJLPLQSION-GFCCVEGCSA-N
MW290.41 g/mol
LogP3.92
Rot. Bonds5

About tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate

tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate (PubChem CID 97307154) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate
PubChem CID97307154
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate
SMILESC[C@@H](NCc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1
InChIInChI=1S/C17H26N2O2/c1-12(14-8-9-14)18-11-13-6-5-7-15(10-13)19-16(20)21-17(2,3)4/h5-7,10,12,14,18H,8-9,11H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeyUTDUOJLPLQSION-GFCCVEGCSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
CID 118957337
tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
CID 158977134
tert-butyl N-[5-[[[(1S)-1-cyclopropylethyl]amino]methyl]-3-methoxy-2-pyridinyl]carbamate
CID 118957680
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate
CID 107239959
tert-butyl N-[3-[2-[(2R)-oxiran-2-yl]ethyl]phenyl]carbamate
CID 91307335
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
tert-butyl N-[3-(methylsulfinylmethyl)phenyl]carbamate
CID 169088988
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
potassium trifluoro-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]boranuide
CID 171374143

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate (CID 97307154) is tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate is C[C@@H](NCc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1.
What is the InChIKey of tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate?
The InChIKey is UTDUOJLPLQSION-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(14-8-9-14)18-11-13-6-5-7-15(10-13)19-16(20)21-17(2,3)4/h5-7,10,12,14,18H,8-9,11H2,1-4H3,(H,19,20)/t12-/m1/s1.
What are the key properties of tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate?
tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 97307154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).