N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol

C19H27N3O4 — CID 144659615

IUPACN-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol
SMILESCCc1cc(O)ccc1OCc1c(NC)cccc1OC.CN(N)C=O
InChIInChI=1S/C17H21NO3.C2H6N2O/c1-4-12-10-13(19)8-9-16(12)21-11-14-15(18-2)6-5-7-17(14)20-3;1-4(3)2-5/h5-10,18-19H,4,11H2,1-3H3;2H,3H2,1H3
InChIKeyPIOKVWSGKJKQSX-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.53
Rot. Bonds7

About N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol

N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol (PubChem CID 144659615) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol.

Molecular Properties

Compound NameN-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol
PubChem CID144659615
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol
SMILESCCc1cc(O)ccc1OCc1c(NC)cccc1OC.CN(N)C=O
InChIInChI=1S/C17H21NO3.C2H6N2O/c1-4-12-10-13(19)8-9-16(12)21-11-14-15(18-2)6-5-7-17(14)20-3;1-4(3)2-5/h5-10,18-19H,4,11H2,1-3H3;2H,3H2,1H3
InChIKeyPIOKVWSGKJKQSX-UHFFFAOYSA-N
XLogP2.53
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline
CID 144597796
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide
CID 144659591
3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
CID 144784037
1,3-diamino-1-[3-(difluoromethyl)-2-[(2-ethyl-4-hydroxyphenoxy)methyl]phenyl]-3-methylurea
CID 144659566
1,3-diamino-1-[2-[(5-chloro-2-ethyl-4-hydroxyphenoxy)methyl]-3-methoxyphenyl]-3-methylurea
CID 129110114
4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
CID 129110059
N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
CID 126587753
1-amino-3-[2-[[4-[(E)-3-(dimethylamino)prop-2-enoyl]-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylurea
CID 129110080
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
CID 144784956

Frequently Asked Questions

What is the IUPAC name of N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol?
The IUPAC name of N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol (CID 144659615) is N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol.
What is the SMILES notation for N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol?
The canonical SMILES for N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol is CCc1cc(O)ccc1OCc1c(NC)cccc1OC.CN(N)C=O.
What is the InChIKey of N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol?
The InChIKey is PIOKVWSGKJKQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.C2H6N2O/c1-4-12-10-13(19)8-9-16(12)21-11-14-15(18-2)6-5-7-17(14)20-3;1-4(3)2-5/h5-10,18-19H,4,11H2,1-3H3;2H,3H2,1H3.
What are the key properties of N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol?
N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol has a molecular weight of 361.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol is sourced from PubChem (CID 144659615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).