N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide

C17H24N4O2 — CID 119906484

IUPACN-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCCNCC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C17H24N4O2/c22-16(12-21-9-2-7-18-8-10-21)19-15-4-1-3-13(11-15)17(23)20-14-5-6-14/h1,3-4,11,14,18H,2,5-10,12H2,(H,19,22)(H,20,23)
InChIKeyAFGSBOBVUDFDDH-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.81
Rot. Bonds5

About N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide

N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide (PubChem CID 119906484) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
PubChem CID119906484
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCCNCC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C17H24N4O2/c22-16(12-21-9-2-7-18-8-10-21)19-15-4-1-3-13(11-15)17(23)20-14-5-6-14/h1,3-4,11,14,18H,2,5-10,12H2,(H,19,22)(H,20,23)
InChIKeyAFGSBOBVUDFDDH-UHFFFAOYSA-N
XLogP0.81
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 62838993
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24665509
N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 30704619
2-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 62837178
(2S)-1-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910364
2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
CID 62838844
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 37408790
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838877

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide (CID 119906484) is N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide is O=C(CN1CCCNCC1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide?
The InChIKey is AFGSBOBVUDFDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(12-21-9-2-7-18-8-10-21)19-15-4-1-3-13(11-15)17(23)20-14-5-6-14/h1,3-4,11,14,18H,2,5-10,12H2,(H,19,22)(H,20,23).
What are the key properties of N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide has a molecular weight of 316.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 119906484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).