N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide

C19H24N4O2 — CID 771458

IUPACN-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide
SMILESCCNC(=O)Nc1ccc(N(C)C)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H24N4O2/c1-4-20-19(25)22-15-10-11-17(23(2)3)16(12-15)18(24)21-13-14-8-6-5-7-9-14/h5-12H,4,13H2,1-3H3,(H,21,24)(H2,20,22,25)
InChIKeyUYKHISBRPSDKGC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.82
Rot. Bonds6

About N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide

N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide (PubChem CID 771458) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide
PubChem CID771458
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide
SMILESCCNC(=O)Nc1ccc(N(C)C)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H24N4O2/c1-4-20-19(25)22-15-10-11-17(23(2)3)16(12-15)18(24)21-13-14-8-6-5-7-9-14/h5-12H,4,13H2,1-3H3,(H,21,24)(H2,20,22,25)
InChIKeyUYKHISBRPSDKGC-UHFFFAOYSA-N
XLogP2.82
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[3-(benzylcarbamoyl)-4-(dimethylamino)phenyl]carbamoylamino]acetate
CID 5240482
N-benzyl-5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 42659105
N-benzyl-2-(dimethylamino)-5-[(4-hexylbenzoyl)amino]benzamide
CID 5177723
N-benzyl-5-[(4-butoxybenzoyl)amino]-2-(dimethylamino)benzamide
CID 4273058
2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 42747938
5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 42756324
5-[(3-chlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 42747935
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 1063339
2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
CID 42747211
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747663
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide?
The IUPAC name of N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide (CID 771458) is N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide.
What is the SMILES notation for N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide?
The canonical SMILES for N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide is CCNC(=O)Nc1ccc(N(C)C)c(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide?
The InChIKey is UYKHISBRPSDKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-20-19(25)22-15-10-11-17(23(2)3)16(12-15)18(24)21-13-14-8-6-5-7-9-14/h5-12H,4,13H2,1-3H3,(H,21,24)(H2,20,22,25).
What are the key properties of N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide?
N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide is sourced from PubChem (CID 771458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).