2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide

C16H26N4O — CID 43252636

IUPAC2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCCN(CCN)CC1
InChIInChI=1S/C16H26N4O/c1-14-5-2-3-6-15(14)18-16(21)13-20-9-4-8-19(10-7-17)11-12-20/h2-3,5-6H,4,7-13,17H2,1H3,(H,18,21)
InChIKeyXDLQCSSUKJYEKM-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.90
Rot. Bonds5

About 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide

2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 43252636) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID43252636
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCCN(CCN)CC1
InChIInChI=1S/C16H26N4O/c1-14-5-2-3-6-15(14)18-16(21)13-20-9-4-8-19(10-7-17)11-12-20/h2-3,5-6H,4,7-13,17H2,1H3,(H,18,21)
InChIKeyXDLQCSSUKJYEKM-UHFFFAOYSA-N
XLogP0.90
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 28744880
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
CID 43252639

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide (CID 43252636) is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CCCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is XDLQCSSUKJYEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14-5-2-3-6-15(14)18-16(21)13-20-9-4-8-19(10-7-17)11-12-20/h2-3,5-6H,4,7-13,17H2,1H3,(H,18,21).
What are the key properties of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 43252636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).