2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide

C20H24N4O3 — CID 86835479

IUPAC2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C20H24N4O3/c1-3-24(4-2)19(26)16-7-5-6-8-17(16)23-18(25)15-11-9-14(10-12-15)13-22-20(21)27/h5-12H,3-4,13H2,1-2H3,(H,23,25)(H3,21,22,27)
InChIKeyOYGUBNGCQWZFJZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.59
Rot. Bonds7

About 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide

2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide (PubChem CID 86835479) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
PubChem CID86835479
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C20H24N4O3/c1-3-24(4-2)19(26)16-7-5-6-8-17(16)23-18(25)15-11-9-14(10-12-15)13-22-20(21)27/h5-12H,3-4,13H2,1-2H3,(H,23,25)(H3,21,22,27)
InChIKeyOYGUBNGCQWZFJZ-UHFFFAOYSA-N
XLogP2.59
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34746020
N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide
CID 86835481
N,N-diethyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21367636
N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
CID 86835460
N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86835530
1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048442
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide (CID 86835479) is 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide?
The InChIKey is OYGUBNGCQWZFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-24(4-2)19(26)16-7-5-6-8-17(16)23-18(25)15-11-9-14(10-12-15)13-22-20(21)27/h5-12H,3-4,13H2,1-2H3,(H,23,25)(H3,21,22,27).
What are the key properties of 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide?
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 86835479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).