2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide

C25H30N4O3 — CID 42747988

IUPAC2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)Nc2cccc3ccccc23)ccc1N(C)C
InChIInChI=1S/C25H30N4O3/c1-4-32-16-8-15-26-24(30)21-17-19(13-14-23(21)29(2)3)27-25(31)28-22-12-7-10-18-9-5-6-11-20(18)22/h5-7,9-14,17H,4,8,15-16H2,1-3H3,(H,26,30)(H2,27,28,31)
InChIKeyKOKRGPNKKHJRGT-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.71
Rot. Bonds9

About 2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide

2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide (PubChem CID 42747988) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
PubChem CID42747988
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)Nc2cccc3ccccc23)ccc1N(C)C
InChIInChI=1S/C25H30N4O3/c1-4-32-16-8-15-26-24(30)21-17-19(13-14-23(21)29(2)3)27-25(31)28-22-12-7-10-18-9-5-6-11-20(18)22/h5-7,9-14,17H,4,8,15-16H2,1-3H3,(H,26,30)(H2,27,28,31)
InChIKeyKOKRGPNKKHJRGT-UHFFFAOYSA-N
XLogP4.71
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.71
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-(naphthalen-1-ylcarbamoylamino)benzamide
CID 42662115
5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide
CID 4551644
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3883285
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
CID 3535205
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
N-(3-ethoxypropyl)-5-[(2-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3883995
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 42747759

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide?
The IUPAC name of 2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide (CID 42747988) is 2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide is CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc3ccccc23)ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide?
The InChIKey is KOKRGPNKKHJRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-4-32-16-8-15-26-24(30)21-17-19(13-14-23(21)29(2)3)27-25(31)28-22-12-7-10-18-9-5-6-11-20(18)22/h5-7,9-14,17H,4,8,15-16H2,1-3H3,(H,26,30)(H2,27,28,31).
What are the key properties of 2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide?
2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide has a molecular weight of 434.54 g/mol, XLogP of 4.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide is sourced from PubChem (CID 42747988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).