N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline

C24H29N5O3 — CID 144597796

IUPACN-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline
SMILESC#CCn1ccc(-c2ccc(OCc3c(NC)cccc3OC)c(C)c2)n1.CN(N)C=O
InChIInChI=1S/C22H23N3O2.C2H6N2O/c1-5-12-25-13-11-19(24-25)17-9-10-21(16(2)14-17)27-15-18-20(23-3)7-6-8-22(18)26-4;1-4(3)2-5/h1,6-11,13-14,23H,12,15H2,2-4H3;2H,3H2,1H3
InChIKeyGCTCTRFKPHQKEU-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.07
Rot. Bonds8

About N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline

N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline (PubChem CID 144597796) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline.

Molecular Properties

Compound NameN-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline
PubChem CID144597796
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline
SMILESC#CCn1ccc(-c2ccc(OCc3c(NC)cccc3OC)c(C)c2)n1.CN(N)C=O
InChIInChI=1S/C22H23N3O2.C2H6N2O/c1-5-12-25-13-11-19(24-25)17-9-10-21(16(2)14-17)27-15-18-20(23-3)7-6-8-22(18)26-4;1-4(3)2-5/h1,6-11,13-14,23H,12,15H2,2-4H3;2H,3H2,1H3
InChIKeyGCTCTRFKPHQKEU-UHFFFAOYSA-N
XLogP3.07
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol
CID 144659615
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
CID 144784956
3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
3-methoxy-N-methyl-2-[[2-methyl-4-[2-(2-methylpropyl)pyrazol-3-yl]phenoxy]methyl]aniline
CID 129109868
1-[2-[[4-(1-butylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-4-methyltetrazol-5-one
CID 118236245
2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide
CID 144772924
1-[2-[[4-[1-(fluoromethoxymethyl)pyrazol-3-yl]-2-methylphenoxy]methyl]-3-methoxyphenyl]-4-methyltetrazol-5-one
CID 142292728
2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline
CID 144739122
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
1-[2-[[4-(4-chloro-5-methoxy-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-methylhydrazine
CID 129109961
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109733
1-[2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-3-methoxyphenyl]-1-phosphorosohydrazine
CID 144784943

Frequently Asked Questions

What is the IUPAC name of N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline?
The IUPAC name of N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline (CID 144597796) is N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline.
What is the SMILES notation for N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline?
The canonical SMILES for N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline is C#CCn1ccc(-c2ccc(OCc3c(NC)cccc3OC)c(C)c2)n1.CN(N)C=O.
What is the InChIKey of N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline?
The InChIKey is GCTCTRFKPHQKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.C2H6N2O/c1-5-12-25-13-11-19(24-25)17-9-10-21(16(2)14-17)27-15-18-20(23-3)7-6-8-22(18)26-4;1-4(3)2-5/h1,6-11,13-14,23H,12,15H2,2-4H3;2H,3H2,1H3.
What are the key properties of N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline?
N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline has a molecular weight of 435.53 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline is sourced from PubChem (CID 144597796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).