acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide

C19H27N5O5 — CID 154906700

IUPACacetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide
SMILESCC(=O)O.CNc1ncc(CN(C)C(=O)c2ccc(OC)c(OCCN)c2)cn1
InChIInChI=1S/C17H23N5O3.C2H4O2/c1-19-17-20-9-12(10-21-17)11-22(2)16(23)13-4-5-14(24-3)15(8-13)25-7-6-18;1-2(3)4/h4-5,8-10H,6-7,11,18H2,1-3H3,(H,19,20,21);1H3,(H,3,4)
InChIKeyRKXFZOQTIZWYQA-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.23
Rot. Bonds8

About acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide

acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide (PubChem CID 154906700) has the molecular formula C19H27N5O5 and a molecular weight of 405.46 g/mol. Its IUPAC name is acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Nameacetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide
PubChem CID154906700
Molecular FormulaC19H27N5O5
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC Nameacetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide
SMILESCC(=O)O.CNc1ncc(CN(C)C(=O)c2ccc(OC)c(OCCN)c2)cn1
InChIInChI=1S/C17H23N5O3.C2H4O2/c1-19-17-20-9-12(10-21-17)11-22(2)16(23)13-4-5-14(24-3)15(8-13)25-7-6-18;1-2(3)4/h4-5,8-10H,6-7,11,18H2,1-3H3,(H,19,20,21);1H3,(H,3,4)
InChIKeyRKXFZOQTIZWYQA-UHFFFAOYSA-N
XLogP1.23
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-aminoethoxy)-N-[(2-aminopyrimidin-5-yl)methyl]-3-methoxy-N-methylbenzamide
CID 118787414
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
acetic acid;4-(3-aminopropoxy)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154904797
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide
CID 118771147
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156396
3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide
CID 126433353

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide?
The IUPAC name of acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide (CID 154906700) is acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide.
What is the SMILES notation for acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide?
The canonical SMILES for acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide is CC(=O)O.CNc1ncc(CN(C)C(=O)c2ccc(OC)c(OCCN)c2)cn1.
What is the InChIKey of acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide?
The InChIKey is RKXFZOQTIZWYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3.C2H4O2/c1-19-17-20-9-12(10-21-17)11-22(2)16(23)13-4-5-14(24-3)15(8-13)25-7-6-18;1-2(3)4/h4-5,8-10H,6-7,11,18H2,1-3H3,(H,19,20,21);1H3,(H,3,4).
What are the key properties of acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide?
acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide has a molecular weight of 405.46 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide is sourced from PubChem (CID 154906700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).