2-[benzyl(methyl)amino]butyl carbamate

C13H20N2O2 — CID 174859900

IUPAC2-[benzyl(methyl)amino]butyl carbamate
SMILESCCC(COC(N)=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-12(10-17-13(14)16)15(2)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H2,14,16)
InChIKeyTWVAAQFZBMAEOA-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.99
Rot. Bonds6

About 2-[benzyl(methyl)amino]butyl carbamate

2-[benzyl(methyl)amino]butyl carbamate (PubChem CID 174859900) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]butyl carbamate.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]butyl carbamate
PubChem CID174859900
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name2-[benzyl(methyl)amino]butyl carbamate
SMILESCCC(COC(N)=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-12(10-17-13(14)16)15(2)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H2,14,16)
InChIKeyTWVAAQFZBMAEOA-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]propyl carbonochloridate
CID 22165929
methyl 2-[benzyl(methyl)amino]-3-methylpentanoate
CID 146455513
ethyl 3-[benzyl(methyl)amino]-2-methylbutanoate
CID 162687102
(2R)-2-[benzyl(methyl)amino]-3-hydroxypropanamide
CID 14621674
3-[[methyl(pentan-3-yl)amino]methyl]benzoic acid
CID 43571320
N-benzyl-N-methylbutan-2-amine
CID 15496809
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
CID 118340486
methyl 2-[benzyl(methyl)amino]-3-(methylamino)-3-oxopropanoate
CID 71268170
2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
CID 62424737
methyl (2R)-2-[benzyl(methyl)amino]-3-hydroxypropanoate
CID 121010319
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]butyl carbamate?
The IUPAC name of 2-[benzyl(methyl)amino]butyl carbamate (CID 174859900) is 2-[benzyl(methyl)amino]butyl carbamate.
What is the SMILES notation for 2-[benzyl(methyl)amino]butyl carbamate?
The canonical SMILES for 2-[benzyl(methyl)amino]butyl carbamate is CCC(COC(N)=O)N(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]butyl carbamate?
The InChIKey is TWVAAQFZBMAEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-12(10-17-13(14)16)15(2)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H2,14,16).
What are the key properties of 2-[benzyl(methyl)amino]butyl carbamate?
2-[benzyl(methyl)amino]butyl carbamate has a molecular weight of 236.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]butyl carbamate is sourced from PubChem (CID 174859900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).