4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide

C17H26N4O2 — CID 71930636

IUPAC4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide
SMILESCCN1CCCN(C(C)C(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-20-9-4-10-21(12-11-20)13(2)17(23)19-15-7-5-14(6-8-15)16(18)22/h5-8,13H,3-4,9-12H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyLLTYOIHNXFJBFH-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.14
Rot. Bonds5

About 4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide

4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide (PubChem CID 71930636) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide
PubChem CID71930636
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide
SMILESCCN1CCCN(C(C)C(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-20-9-4-10-21(12-11-20)13(2)17(23)19-15-7-5-14(6-8-15)16(18)22/h5-8,13H,3-4,9-12H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyLLTYOIHNXFJBFH-UHFFFAOYSA-N
XLogP1.14
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088
(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92763017
4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide
CID 47543064
ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride
CID 53428809
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 55498344
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(2S)-2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-chlorophenyl)propanamide
CID 9131272
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878
N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78829581

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide?
The IUPAC name of 4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide (CID 71930636) is 4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide.
What is the SMILES notation for 4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide?
The canonical SMILES for 4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide is CCN1CCCN(C(C)C(=O)Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide?
The InChIKey is LLTYOIHNXFJBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-20-9-4-10-21(12-11-20)13(2)17(23)19-15-7-5-14(6-8-15)16(18)22/h5-8,13H,3-4,9-12H2,1-2H3,(H2,18,22)(H,19,23).
What are the key properties of 4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide?
4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide is sourced from PubChem (CID 71930636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).