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

C26H29N3O3 — CID 60622352

IUPACN-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N(CCN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H29N3O3/c30-25(12-13-27-26(31)23-11-10-21-6-4-5-7-22(21)20-23)29(24-8-2-1-3-9-24)15-14-28-16-18-32-19-17-28/h1-11,20H,12-19H2,(H,27,31)
InChIKeyKCMGXORSPKRVAY-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.33
Rot. Bonds8

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

N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 60622352) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID60622352
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N(CCN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H29N3O3/c30-25(12-13-27-26(31)23-11-10-21-6-4-5-7-22(21)20-23)29(24-8-2-1-3-9-24)15-14-28-16-18-32-19-17-28/h1-11,20H,12-19H2,(H,27,31)
InChIKeyKCMGXORSPKRVAY-UHFFFAOYSA-N
XLogP3.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
4-fluoro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 134025432
2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid
CID 75429098
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid
CID 19608777
2-(2-morpholin-4-ylethylamino)-1-naphthalen-2-ylethanone
CID 82101636
3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide
CID 52811003
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484

Frequently Asked Questions

What is the IUPAC name of N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide (CID 60622352) is N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide is O=C(NCCC(=O)N(CCN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is KCMGXORSPKRVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c30-25(12-13-27-26(31)23-11-10-21-6-4-5-7-22(21)20-23)29(24-8-2-1-3-9-24)15-14-28-16-18-32-19-17-28/h1-11,20H,12-19H2,(H,27,31).
What are the key properties of N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 60622352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).