4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide

C12H17N5O3 — CID 83111327

IUPAC4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
SMILESNC(=O)NCCNC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C12H17N5O3/c13-9-3-1-8(2-4-9)11(19)17-7-10(18)15-5-6-16-12(14)20/h1-4H,5-7,13H2,(H,15,18)(H,17,19)(H3,14,16,20)
InChIKeyQSNIIEKXULRNSR-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.22
Rot. Bonds6

About 4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide

4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide (PubChem CID 83111327) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
PubChem CID83111327
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
SMILESNC(=O)NCCNC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C12H17N5O3/c13-9-3-1-8(2-4-9)11(19)17-7-10(18)15-5-6-16-12(14)20/h1-4H,5-7,13H2,(H,15,18)(H,17,19)(H3,14,16,20)
InChIKeyQSNIIEKXULRNSR-UHFFFAOYSA-N
XLogP-1.22
TPSA139.34 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(2-methylsulfanylethylamino)-2-oxoethyl]benzamide
CID 60666348
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 106134450
4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide
CID 79193732
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
4-amino-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 119863887
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide
CID 106096432
4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
CID 102695091
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide (CID 83111327) is 4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide is NC(=O)NCCNC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is QSNIIEKXULRNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c13-9-3-1-8(2-4-9)11(19)17-7-10(18)15-5-6-16-12(14)20/h1-4H,5-7,13H2,(H,15,18)(H,17,19)(H3,14,16,20).
What are the key properties of 4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide?
4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 279.30 g/mol, XLogP of -1.22, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 83111327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).