[4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

C18H31N3O7 — CID 176955321

IUPAC[4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCONc1ccc(OC(=O)NCCOCCOCCOCCOCCN)cc1
InChIInChI=1S/C18H31N3O7/c1-23-21-16-2-4-17(5-3-16)28-18(22)20-7-9-25-11-13-27-15-14-26-12-10-24-8-6-19/h2-5,21H,6-15,19H2,1H3,(H,20,22)
InChIKeyPSGIJZFANCLPAP-UHFFFAOYSA-N
MW401.46 g/mol
LogP0.77
Rot. Bonds17

About [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

[4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 176955321) has the molecular formula C18H31N3O7 and a molecular weight of 401.46 g/mol. Its IUPAC name is [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name[4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID176955321
Molecular FormulaC18H31N3O7
Molecular Weight401.46 g/mol
Exact Mass401.22
IUPAC Name[4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCONc1ccc(OC(=O)NCCOCCOCCOCCOCCN)cc1
InChIInChI=1S/C18H31N3O7/c1-23-21-16-2-4-17(5-3-16)28-18(22)20-7-9-25-11-13-27-15-14-26-12-10-24-8-6-19/h2-5,21H,6-15,19H2,1H3,(H,20,22)
InChIKeyPSGIJZFANCLPAP-UHFFFAOYSA-N
XLogP0.77
TPSA122.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-nitrosophenyl) N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 167089438
(4-methoxyphenyl) N-(2-methoxyethyl)carbamate
CID 121219063
2-[3-(2-aminoethoxy)-2,2-bis(2-aminoethoxymethyl)propoxy]ethanamine;[4-(2-methylprop-2-enoylamino)phenyl] N-[2-[2-[2-[[2-[4-(3-methyl-2-oxobut-3-enyl)phenyl]acetyl]amino]ethoxymethyl]-3-[2-[[4-(2-methylprop-2-enoylamino)phenoxy]carbonylamino]ethoxy]-2-[2-[[4-(2-methylprop-2-enoylamino)phenoxy]carbonylamino]ethoxymethyl]propoxy]ethyl]carbamate
CID 159717917
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
(4-bromophenyl) N-(3-aminopropyl)carbamate
CID 116819177
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
N-[2-(2-aminoethoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 82354234
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283

Frequently Asked Questions

What is the IUPAC name of [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 176955321) is [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is CONc1ccc(OC(=O)NCCOCCOCCOCCOCCN)cc1.
What is the InChIKey of [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is PSGIJZFANCLPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O7/c1-23-21-16-2-4-17(5-3-16)28-18(22)20-7-9-25-11-13-27-15-14-26-12-10-24-8-6-19/h2-5,21H,6-15,19H2,1H3,(H,20,22).
What are the key properties of [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
[4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 401.46 g/mol, XLogP of 0.77, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxyamino)phenyl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 176955321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).