carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol

C13H23N3O7 — CID 71435780

IUPACcarbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
SMILESCOc1ccc(N(CCO)CCO)cc1.NC(=O)O.NC(=O)O
InChIInChI=1S/C11H17NO3.2CH3NO2/c1-15-11-4-2-10(3-5-11)12(6-8-13)7-9-14;2*2-1(3)4/h2-5,13-14H,6-9H2,1H3;2*2H2,(H,3,4)
InChIKeyNRCNZNIDGGEVCK-UHFFFAOYSA-N
MW333.34 g/mol
LogP-0.27
Rot. Bonds6

About carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol

carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol (PubChem CID 71435780) has the molecular formula C13H23N3O7 and a molecular weight of 333.34 g/mol. Its IUPAC name is carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol.

Molecular Properties

Compound Namecarbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
PubChem CID71435780
Molecular FormulaC13H23N3O7
Molecular Weight333.34 g/mol
Exact Mass333.15
IUPAC Namecarbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
SMILESCOc1ccc(N(CCO)CCO)cc1.NC(=O)O.NC(=O)O
InChIInChI=1S/C11H17NO3.2CH3NO2/c1-15-11-4-2-10(3-5-11)12(6-8-13)7-9-14;2*2-1(3)4/h2-5,13-14H,6-9H2,1H3;2*2H2,(H,3,4)
InChIKeyNRCNZNIDGGEVCK-UHFFFAOYSA-N
XLogP-0.27
TPSA179.57 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate
CID 22096865
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
CID 16576333
5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
CID 62227300
methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
CID 138519660
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol
CID 69286303
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
amino-(4-methoxyphenyl)carbamic acid
CID 66864834

Frequently Asked Questions

What is the IUPAC name of carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol?
The IUPAC name of carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol (CID 71435780) is carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol.
What is the SMILES notation for carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol?
The canonical SMILES for carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol is COc1ccc(N(CCO)CCO)cc1.NC(=O)O.NC(=O)O.
What is the InChIKey of carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol?
The InChIKey is NRCNZNIDGGEVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3.2CH3NO2/c1-15-11-4-2-10(3-5-11)12(6-8-13)7-9-14;2*2-1(3)4/h2-5,13-14H,6-9H2,1H3;2*2H2,(H,3,4).
What are the key properties of carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol?
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol has a molecular weight of 333.34 g/mol, XLogP of -0.27, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol is sourced from PubChem (CID 71435780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).