2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate

C15H24N2O3 — CID 43318992

IUPAC2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1N(CCCN)C(=O)OCC(C)C
InChIInChI=1S/C15H24N2O3/c1-12(2)11-20-15(18)17(10-6-9-16)13-7-4-5-8-14(13)19-3/h4-5,7-8,12H,6,9-11,16H2,1-3H3
InChIKeyPTNRETSIFNKHRK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.64
Rot. Bonds7

About 2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate

2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate (PubChem CID 43318992) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate
PubChem CID43318992
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1N(CCCN)C(=O)OCC(C)C
InChIInChI=1S/C15H24N2O3/c1-12(2)11-20-15(18)17(10-6-9-16)13-7-4-5-8-14(13)19-3/h4-5,7-8,12H,6,9-11,16H2,1-3H3
InChIKeyPTNRETSIFNKHRK-UHFFFAOYSA-N
XLogP2.64
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide
CID 28767707
N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide
CID 43136196
1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea
CID 79160382
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea
CID 174379543
N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
CID 63011480
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 28766792
(2R)-2-amino-N-(2-methoxyphenyl)-N,4-dimethylpentanamide
CID 104903371
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate?
The IUPAC name of 2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate (CID 43318992) is 2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate is COc1ccccc1N(CCCN)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate?
The InChIKey is PTNRETSIFNKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(2)11-20-15(18)17(10-6-9-16)13-7-4-5-8-14(13)19-3/h4-5,7-8,12H,6,9-11,16H2,1-3H3.
What are the key properties of 2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate?
2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 43318992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).