phenyl N-(3-amino-3-ethylpentyl)carbamate

C14H22N2O2 — CID 174465243

IUPACphenyl N-(3-amino-3-ethylpentyl)carbamate
SMILESCCC(N)(CC)CCNC(=O)Oc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-14(15,4-2)10-11-16-13(17)18-12-8-6-5-7-9-12/h5-9H,3-4,10-11,15H2,1-2H3,(H,16,17)
InChIKeyAHRCCUDNWWWBNW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds6

About phenyl N-(3-amino-3-ethylpentyl)carbamate

phenyl N-(3-amino-3-ethylpentyl)carbamate (PubChem CID 174465243) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is phenyl N-(3-amino-3-ethylpentyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-amino-3-ethylpentyl)carbamate
PubChem CID174465243
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namephenyl N-(3-amino-3-ethylpentyl)carbamate
SMILESCCC(N)(CC)CCNC(=O)Oc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-14(15,4-2)10-11-16-13(17)18-12-8-6-5-7-9-12/h5-9H,3-4,10-11,15H2,1-2H3,(H,16,17)
InChIKeyAHRCCUDNWWWBNW-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
2-(phenoxycarbonylamino)ethyl methanesulfonate
CID 87999644
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(2-hydroxy-2-methylbutyl)carbamate
CID 65110904
phenyl N-(2-methylsulfanylethyl)carbamate
CID 60637251
phenyl N-(2-phenylethyl)carbamate
CID 12632743
phenyl N-(2-aminobutyl)carbamate
CID 63732215
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate
CID 59371177
phenyl N-(3-bromopropyl)carbamate
CID 142499000
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
phenyl N-(4-methoxybutyl)carbamate
CID 61073944

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-amino-3-ethylpentyl)carbamate?
The IUPAC name of phenyl N-(3-amino-3-ethylpentyl)carbamate (CID 174465243) is phenyl N-(3-amino-3-ethylpentyl)carbamate.
What is the SMILES notation for phenyl N-(3-amino-3-ethylpentyl)carbamate?
The canonical SMILES for phenyl N-(3-amino-3-ethylpentyl)carbamate is CCC(N)(CC)CCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(3-amino-3-ethylpentyl)carbamate?
The InChIKey is AHRCCUDNWWWBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(15,4-2)10-11-16-13(17)18-12-8-6-5-7-9-12/h5-9H,3-4,10-11,15H2,1-2H3,(H,16,17).
What are the key properties of phenyl N-(3-amino-3-ethylpentyl)carbamate?
phenyl N-(3-amino-3-ethylpentyl)carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-amino-3-ethylpentyl)carbamate is sourced from PubChem (CID 174465243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).