N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide

C22H22N4O3 — CID 55596125

IUPACN-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N4O3/c1-23-22(29)26-19-10-8-18(9-11-19)25-20(27)12-13-24-21(28)17-7-6-15-4-2-3-5-16(15)14-17/h2-11,14H,12-13H2,1H3,(H,24,28)(H,25,27)(H2,23,26,29)
InChIKeyZKOIRQRUCAHXOA-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.35
Rot. Bonds6

About N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55596125) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55596125
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N4O3/c1-23-22(29)26-19-10-8-18(9-11-19)25-20(27)12-13-24-21(28)17-7-6-15-4-2-3-5-16(15)14-17/h2-11,14H,12-13H2,1H3,(H,24,28)(H,25,27)(H2,23,26,29)
InChIKeyZKOIRQRUCAHXOA-UHFFFAOYSA-N
XLogP3.35
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55734289
N-[3-[3-chloro-4-(2-methoxyethylcarbamoyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55877259
N-[(E)-but-2-enyl]naphthalene-2-carboxamide
CID 59644417
N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide
CID 86872751
N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55736297
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
1-methyl-3-naphthalen-2-ylurea
CID 3454681
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55583002
N-[3-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056263
N-propylnaphthalene-2-carboxamide
CID 6624536
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55596125) is N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide is CNC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is ZKOIRQRUCAHXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-23-22(29)26-19-10-8-18(9-11-19)25-20(27)12-13-24-21(28)17-7-6-15-4-2-3-5-16(15)14-17/h2-11,14H,12-13H2,1H3,(H,24,28)(H,25,27)(H2,23,26,29).
What are the key properties of N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55596125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).