2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate

C16H26N2O2 — CID 43508327

IUPAC2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
SMILESCCCNC(C)c1ccc(NC(=O)OCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-10-17-13(4)14-6-8-15(9-7-14)18-16(19)20-11-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyASQOXNBTOTVYIJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.95
Rot. Bonds7

About 2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate

2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate (PubChem CID 43508327) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
PubChem CID43508327
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
SMILESCCCNC(C)c1ccc(NC(=O)OCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-10-17-13(4)14-6-8-15(9-7-14)18-16(19)20-11-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyASQOXNBTOTVYIJ-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508328
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
CID 62715274
propyl 4-(2-methylpropoxycarbonylamino)benzoate
CID 43404774
1-butan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 61341260
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733
2-methylpropyl N-(4-sulfamoylphenyl)carbamate
CID 18934427
N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide
CID 43507728
methyl 4-[(1S)-1-(propylamino)ethyl]benzoate
CID 142387004

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate (CID 43508327) is 2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate is CCCNC(C)c1ccc(NC(=O)OCC(C)C)cc1.
What is the InChIKey of 2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate?
The InChIKey is ASQOXNBTOTVYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-10-17-13(4)14-6-8-15(9-7-14)18-16(19)20-11-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate?
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate is sourced from PubChem (CID 43508327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).