formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide

C19H25N3O4 — CID 171339155

IUPACformic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide
SMILESCCCc1cnc(-c2cccc(C(=O)NC(C)COC)c2)nc1.O=CO
InChIInChI=1S/C18H23N3O2.CH2O2/c1-4-6-14-10-19-17(20-11-14)15-7-5-8-16(9-15)18(22)21-13(2)12-23-3;2-1-3/h5,7-11,13H,4,6,12H2,1-3H3,(H,21,22);1H,(H,2,3)
InChIKeyAENYDTVLCSUNNH-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.56
Rot. Bonds7

About formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide

formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide (PubChem CID 171339155) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Nameformic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide
PubChem CID171339155
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameformic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide
SMILESCCCc1cnc(-c2cccc(C(=O)NC(C)COC)c2)nc1.O=CO
InChIInChI=1S/C18H23N3O2.CH2O2/c1-4-6-14-10-19-17(20-11-14)15-7-5-8-16(9-15)18(22)21-13(2)12-23-3;2-1-3/h5,7-11,13H,4,6,12H2,1-3H3,(H,21,22);1H,(H,2,3)
InChIKeyAENYDTVLCSUNNH-UHFFFAOYSA-N
XLogP2.56
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
CID 118785915
N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide
CID 125444057
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
3-(4-methoxybutan-2-ylcarbamoyl)benzoic acid
CID 64603087
4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide
CID 107020016
N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide
CID 126441503

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide?
The IUPAC name of formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide (CID 171339155) is formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide.
What is the SMILES notation for formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide?
The canonical SMILES for formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide is CCCc1cnc(-c2cccc(C(=O)NC(C)COC)c2)nc1.O=CO.
What is the InChIKey of formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide?
The InChIKey is AENYDTVLCSUNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.CH2O2/c1-4-6-14-10-19-17(20-11-14)15-7-5-8-16(9-15)18(22)21-13(2)12-23-3;2-1-3/h5,7-11,13H,4,6,12H2,1-3H3,(H,21,22);1H,(H,2,3).
What are the key properties of formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide?
formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 171339155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).