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

C14H21ClN2O2 — CID 107237406

IUPACtert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate
SMILESCCC(NNC(=O)OC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-5-12(10-6-8-11(15)9-7-10)16-17-13(18)19-14(2,3)4/h6-9,12,16H,5H2,1-4H3,(H,17,18)
InChIKeyQBQMNFGQHOCGFI-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.82
Rot. Bonds4

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

tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate (PubChem CID 107237406) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate
PubChem CID107237406
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Nametert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate
SMILESCCC(NNC(=O)OC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-5-12(10-6-8-11(15)9-7-10)16-17-13(18)19-14(2,3)4/h6-9,12,16H,5H2,1-4H3,(H,17,18)
InChIKeyQBQMNFGQHOCGFI-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107247097
tert-butyl N-[[(4-chlorophenyl)-cyclopropylmethyl]amino]carbamate
CID 107236987
tert-butyl N-(1-phenylbutylamino)carbamate
CID 107236962
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
tert-butyl N-[(3,3,3-trifluoro-1-phenylpropyl)amino]carbamate
CID 107236907
tert-butyl N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831537
tert-butyl N-[1-(5-bromo-2-hydroxyphenyl)propylamino]carbamate
CID 107237016
(2S)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 159251854
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
tert-butyl N-[2-(4-chlorophenyl)-3-oxopropyl]carbamate
CID 19090869
tert-butyl N-[1-(3,4-dichlorophenyl)ethylamino]carbamate
CID 107236972
tert-butyl N-[4-[1-(4-bromophenyl)propylamino]-2-methylbutan-2-yl]carbamate
CID 112753850

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate?
The IUPAC name of tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate (CID 107237406) is tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate is CCC(NNC(=O)OC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate?
The InChIKey is QBQMNFGQHOCGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-5-12(10-6-8-11(15)9-7-10)16-17-13(18)19-14(2,3)4/h6-9,12,16H,5H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate?
tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate has a molecular weight of 284.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate is sourced from PubChem (CID 107237406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).