ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate

C15H23N3O3 — CID 43706422

IUPACethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)CCCCCN)cc1
InChIInChI=1S/C15H23N3O3/c1-2-21-15(20)18-13-9-7-12(8-10-13)17-14(19)6-4-3-5-11-16/h7-10H,2-6,11,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyIOVIEOZNNUZQOK-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.71
Rot. Bonds8

About ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate

ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate (PubChem CID 43706422) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
PubChem CID43706422
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)CCCCCN)cc1
InChIInChI=1S/C15H23N3O3/c1-2-21-15(20)18-13-9-7-12(8-10-13)17-14(19)6-4-3-5-11-16/h7-10H,2-6,11,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyIOVIEOZNNUZQOK-UHFFFAOYSA-N
XLogP2.71
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
CID 60944515
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-(6-aminohexanoylamino)benzamide
CID 24702559
7-amino-N-(4-butan-2-yloxyphenyl)heptanamide
CID 119739480
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
ethyl 4-(hexadecanoylamino)benzoate
CID 15925750
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate (CID 43706422) is ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)CCCCCN)cc1.
What is the InChIKey of ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate?
The InChIKey is IOVIEOZNNUZQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-21-15(20)18-13-9-7-12(8-10-13)17-14(19)6-4-3-5-11-16/h7-10H,2-6,11,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate?
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate is sourced from PubChem (CID 43706422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).