tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate

C17H26Cl2N2O2 — CID 107247740

IUPACtert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
SMILESCCC(NCC(C)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H26Cl2N2O2/c1-6-15(13-8-7-12(18)9-14(13)19)20-10-11(2)21-16(22)23-17(3,4)5/h7-9,11,15,20H,6,10H2,1-5H3,(H,21,22)
InChIKeySAHMOXFEQGNKSU-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.95
Rot. Bonds6

About tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate

tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate (PubChem CID 107247740) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
PubChem CID107247740
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Nametert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
SMILESCCC(NCC(C)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H26Cl2N2O2/c1-6-15(13-8-7-12(18)9-14(13)19)20-10-11(2)21-16(22)23-17(3,4)5/h7-9,11,15,20H,6,10H2,1-5H3,(H,21,22)
InChIKeySAHMOXFEQGNKSU-UHFFFAOYSA-N
XLogP4.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
CID 102794759
(3R)-3-(2,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7023305
tert-butyl N-[(1S)-1-(2-bromo-4-chlorophenyl)propyl]carbamate
CID 162342831
tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107247097
1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151471
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
(2S,3S)-3-(2,4-dichlorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762376
tert-butyl N-[1-[1-(3-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107250522
tert-butyl N-[1-(2,4-dichlorophenyl)ethylamino]carbamate
CID 107237339
3-[1-(2,4-dichlorophenyl)propylamino]butanamide
CID 113342534
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027
methyl 2-(3,4-dichlorophenyl)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetate
CID 169115979

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate (CID 107247740) is tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate is CCC(NCC(C)NC(=O)OC(C)(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate?
The InChIKey is SAHMOXFEQGNKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2O2/c1-6-15(13-8-7-12(18)9-14(13)19)20-10-11(2)21-16(22)23-17(3,4)5/h7-9,11,15,20H,6,10H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate?
tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate has a molecular weight of 361.31 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate is sourced from PubChem (CID 107247740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).