N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide

C29H36N4O3 — CID 42662115

IUPACN-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)Nc2cccc3ccccc23)ccc1N1CCC(C)CC1
InChIInChI=1S/C29H36N4O3/c1-3-36-19-7-16-30-28(34)25-20-23(12-13-27(25)33-17-14-21(2)15-18-33)31-29(35)32-26-11-6-9-22-8-4-5-10-24(22)26/h4-6,8-13,20-21H,3,7,14-19H2,1-2H3,(H,30,34)(H2,31,32,35)
InChIKeyOPFPVDGZGDPZGH-UHFFFAOYSA-N
MW488.63 g/mol
LogP5.88
Rot. Bonds9

About N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide

N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide (PubChem CID 42662115) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
PubChem CID42662115
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC NameN-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)Nc2cccc3ccccc23)ccc1N1CCC(C)CC1
InChIInChI=1S/C29H36N4O3/c1-3-36-19-7-16-30-28(34)25-20-23(12-13-27(25)33-17-14-21(2)15-18-33)31-29(35)32-26-11-6-9-22-8-4-5-10-24(22)26/h4-6,8-13,20-21H,3,7,14-19H2,1-2H3,(H,30,34)(H2,31,32,35)
InChIKeyOPFPVDGZGDPZGH-UHFFFAOYSA-N
XLogP5.88
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(propanoylamino)benzamide
CID 4027553
ethyl 2-[[3-(3-ethoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]acetate
CID 3470484
5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 7306724
N-(3-ethoxypropyl)-5-[(2-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3883995
2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
CID 42747988
N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3439444
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 3605278
N-(3-ethoxypropyl)-5-[(2-ethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42662088
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
5-[(2,6-dimethylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3883990
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3268817
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
CID 42757285

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide (CID 42662115) is N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide is CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc3ccccc23)ccc1N1CCC(C)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide?
The InChIKey is OPFPVDGZGDPZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-3-36-19-7-16-30-28(34)25-20-23(12-13-27(25)33-17-14-21(2)15-18-33)31-29(35)32-26-11-6-9-22-8-4-5-10-24(22)26/h4-6,8-13,20-21H,3,7,14-19H2,1-2H3,(H,30,34)(H2,31,32,35).
What are the key properties of N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide?
N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide has a molecular weight of 488.63 g/mol, XLogP of 5.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide is sourced from PubChem (CID 42662115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).