N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide

C20H27N5O4 — CID 108788763

IUPACN-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H27N5O4/c1-3-24(4-2)14-11-21-19(28)15-5-7-16(8-6-15)22-17(26)9-12-25-13-10-18(27)23-20(25)29/h5-8,10,13H,3-4,9,11-12,14H2,1-2H3,(H,21,28)(H,22,26)(H,23,27,29)
InChIKeyKKGXDSWHLGXDKL-UHFFFAOYSA-N
MW401.47 g/mol
LogP0.64
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide

N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide (PubChem CID 108788763) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide
PubChem CID108788763
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC NameN-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H27N5O4/c1-3-24(4-2)14-11-21-19(28)15-5-7-16(8-6-15)22-17(26)9-12-25-13-10-18(27)23-20(25)29/h5-8,10,13H,3-4,9,11-12,14H2,1-2H3,(H,21,28)(H,22,26)(H,23,27,29)
InChIKeyKKGXDSWHLGXDKL-UHFFFAOYSA-N
XLogP0.64
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)ethyl 4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788712
N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 35569669
N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
CID 2406200
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631
4-[[2-(2-aminoethylsulfanyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 84552559
N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide
CID 130431983
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
CID 110839377
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide
CID 108789964
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide (CID 108788763) is N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide?
The InChIKey is KKGXDSWHLGXDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-3-24(4-2)14-11-21-19(28)15-5-7-16(8-6-15)22-17(26)9-12-25-13-10-18(27)23-20(25)29/h5-8,10,13H,3-4,9,11-12,14H2,1-2H3,(H,21,28)(H,22,26)(H,23,27,29).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide?
N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide has a molecular weight of 401.47 g/mol, XLogP of 0.64, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide is sourced from PubChem (CID 108788763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).