N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide

C19H21NO4 — CID 110732832

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(C3OCCO3)cc2)c1
InChIInChI=1S/C19H21NO4/c1-22-17-4-2-3-14(13-17)5-10-18(21)20-16-8-6-15(7-9-16)19-23-11-12-24-19/h2-4,6-9,13,19H,5,10-12H2,1H3,(H,20,21)
InChIKeyKAMGZSKNHZUGQB-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.31
Rot. Bonds6

About N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide

N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 110732832) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide
PubChem CID110732832
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(C3OCCO3)cc2)c1
InChIInChI=1S/C19H21NO4/c1-22-17-4-2-3-14(13-17)5-10-18(21)20-16-8-6-15(7-9-16)19-23-11-12-24-19/h2-4,6-9,13,19H,5,10-12H2,1H3,(H,20,21)
InChIKeyKAMGZSKNHZUGQB-UHFFFAOYSA-N
XLogP3.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 112532458
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
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3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
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N-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylacetamide
CID 110732815
3-(3-methoxyphenyl)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 110643608
3-(3-methoxyphenyl)-N-(3-propan-2-ylphenyl)propanamide
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N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
CID 110730751
ethyl (E)-3-[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]prop-2-enoate
CID 34481370
N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide
CID 110368212
N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 24618608

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide (CID 110732832) is N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2ccc(C3OCCO3)cc2)c1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is KAMGZSKNHZUGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-17-4-2-3-14(13-17)5-10-18(21)20-16-8-6-15(7-9-16)19-23-11-12-24-19/h2-4,6-9,13,19H,5,10-12H2,1H3,(H,20,21).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide?
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110732832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).