methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate

C12H18N2O3 — CID 43136235

IUPACmethyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
SMILESCOC(=O)N(CCCN)c1cccc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-16-11-6-3-5-10(9-11)14(8-4-7-13)12(15)17-2/h3,5-6,9H,4,7-8,13H2,1-2H3
InChIKeyZOVKSQMKVPIANC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.62
Rot. Bonds5

About methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate

methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate (PubChem CID 43136235) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
PubChem CID43136235
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
SMILESCOC(=O)N(CCCN)c1cccc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-16-11-6-3-5-10(9-11)14(8-4-7-13)12(15)17-2/h3,5-6,9H,4,7-8,13H2,1-2H3
InChIKeyZOVKSQMKVPIANC-UHFFFAOYSA-N
XLogP1.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 28767782
N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide
CID 61271974
methyl N-but-2-ynyl-N-(3-methoxyphenyl)carbamate
CID 11345314
methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate
CID 125474358
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
1-(2-hydroxyethyl)-1-(3-methoxyphenyl)urea
CID 91413546
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
CID 108869157
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone
CID 43136387
1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
CID 114803421
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate?
The IUPAC name of methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate (CID 43136235) is methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate.
What is the SMILES notation for methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate?
The canonical SMILES for methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate is COC(=O)N(CCCN)c1cccc(OC)c1.
What is the InChIKey of methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate?
The InChIKey is ZOVKSQMKVPIANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-11-6-3-5-10(9-11)14(8-4-7-13)12(15)17-2/h3,5-6,9H,4,7-8,13H2,1-2H3.
What are the key properties of methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate?
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate is sourced from PubChem (CID 43136235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).