N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide

C24H24N2O2 — CID 46589497

IUPACN-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)Nc1cccc2c1CCCC2
InChIInChI=1S/C24H24N2O2/c27-23(26-22-11-5-9-18-7-3-4-10-21(18)22)14-15-25-24(28)20-13-12-17-6-1-2-8-19(17)16-20/h1-2,5-6,8-9,11-13,16H,3-4,7,10,14-15H2,(H,25,28)(H,26,27)
InChIKeyPXXBYMWCNXMLMN-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.48
Rot. Bonds5

About N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide

N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide (PubChem CID 46589497) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide
PubChem CID46589497
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)Nc1cccc2c1CCCC2
InChIInChI=1S/C24H24N2O2/c27-23(26-22-11-5-9-18-7-3-4-10-21(18)22)14-15-25-24(28)20-13-12-17-6-1-2-8-19(17)16-20/h1-2,5-6,8-9,11-13,16H,3-4,7,10,14-15H2,(H,25,28)(H,26,27)
InChIKeyPXXBYMWCNXMLMN-UHFFFAOYSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide
CID 26515879
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 47175572
N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55577306
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55596125
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 56581398
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide (CID 46589497) is N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1cccc2c1CCCC2.
What is the InChIKey of N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide?
The InChIKey is PXXBYMWCNXMLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-23(26-22-11-5-9-18-7-3-4-10-21(18)22)14-15-25-24(28)20-13-12-17-6-1-2-8-19(17)16-20/h1-2,5-6,8-9,11-13,16H,3-4,7,10,14-15H2,(H,25,28)(H,26,27).
What are the key properties of N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide?
N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 46589497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).