tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate

C18H29ClN2O2 — CID 107247097

IUPACtert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
SMILESCCC(NCCC(C)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN2O2/c1-6-16(14-7-9-15(19)10-8-14)20-12-11-13(2)21-17(22)23-18(3,4)5/h7-10,13,16,20H,6,11-12H2,1-5H3,(H,21,22)
InChIKeyCQIVWIMCYKDOQZ-UHFFFAOYSA-N
MW340.90 g/mol
LogP4.68
Rot. Bonds7

About tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate

tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate (PubChem CID 107247097) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
PubChem CID107247097
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Nametert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
SMILESCCC(NCCC(C)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN2O2/c1-6-16(14-7-9-15(19)10-8-14)20-12-11-13(2)21-17(22)23-18(3,4)5/h7-10,13,16,20H,6,11-12H2,1-5H3,(H,21,22)
InChIKeyCQIVWIMCYKDOQZ-UHFFFAOYSA-N
XLogP4.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate
CID 107237406
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
CID 107247740
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
CID 103949133
tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate
CID 103901727
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495
tert-butyl N-[3-[1-(4-methylphenyl)propylamino]propyl]carbamate
CID 103781079
(4S)-4-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butane-1-sulfonic acid
CID 141235325
tert-butyl N-[4-[1-(4-bromophenyl)propylamino]-2-methylbutan-2-yl]carbamate
CID 112753850
tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
tert-butyl N-[(1R,2R)-1-(4-chlorophenyl)-2-nitropropyl]carbamate
CID 46201420

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate (CID 107247097) is tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate is CCC(NCCC(C)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate?
The InChIKey is CQIVWIMCYKDOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O2/c1-6-16(14-7-9-15(19)10-8-14)20-12-11-13(2)21-17(22)23-18(3,4)5/h7-10,13,16,20H,6,11-12H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate?
tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate has a molecular weight of 340.90 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate is sourced from PubChem (CID 107247097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).