tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate

C17H25FN2O3 — CID 107240818

IUPACtert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate
SMILESCOCC(Nc1cc(F)ccc1NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H25FN2O3/c1-17(2,3)23-16(21)20-13-8-7-12(18)9-14(13)19-15(10-22-4)11-5-6-11/h7-9,11,15,19H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyFDBZYZNAJUGBHI-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.01
Rot. Bonds6

About tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate

tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate (PubChem CID 107240818) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate
PubChem CID107240818
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Nametert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate
SMILESCOCC(Nc1cc(F)ccc1NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H25FN2O3/c1-17(2,3)23-16(21)20-13-8-7-12(18)9-14(13)19-15(10-22-4)11-5-6-11/h7-9,11,15,19H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyFDBZYZNAJUGBHI-UHFFFAOYSA-N
XLogP4.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]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-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate
CID 107239747
tert-butyl N-[3-[(1-cyclopropyl-2-methoxyethyl)amino]phenyl]carbamate
CID 107239959
tert-butyl N-[4-fluoro-2-(5-methylhexan-2-ylamino)phenyl]carbamate
CID 107240747
tert-butyl N-[4-fluoro-2-(thian-4-ylamino)phenyl]carbamate
CID 107240824
tert-butyl N-[4-fluoro-2-(thiolan-3-ylmethylamino)phenyl]carbamate
CID 107240887
tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 107240717
tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
CID 56783735
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate
CID 107237163
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-4-fluorophenyl]carbamate
CID 107240873
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate
CID 107240750

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate (CID 107240818) is tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate is COCC(Nc1cc(F)ccc1NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate?
The InChIKey is FDBZYZNAJUGBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-17(2,3)23-16(21)20-13-8-7-12(18)9-14(13)19-15(10-22-4)11-5-6-11/h7-9,11,15,19H,5-6,10H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate?
tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate has a molecular weight of 324.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate is sourced from PubChem (CID 107240818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).