N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide

C11H20N4O2 — CID 43162505

IUPACN-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESO=C(CN1CCCNCC1)NC(=O)NC1CC1
InChIInChI=1S/C11H20N4O2/c16-10(14-11(17)13-9-2-3-9)8-15-6-1-4-12-5-7-15/h9,12H,1-8H2,(H2,13,14,16,17)
InChIKeyUOSIKNMXDBWYAT-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.73
Rot. Bonds3

About N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide

N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 43162505) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
PubChem CID43162505
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESO=C(CN1CCCNCC1)NC(=O)NC1CC1
InChIInChI=1S/C11H20N4O2/c16-10(14-11(17)13-9-2-3-9)8-15-6-1-4-12-5-7-15/h9,12H,1-8H2,(H2,13,14,16,17)
InChIKeyUOSIKNMXDBWYAT-UHFFFAOYSA-N
XLogP-0.73
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
CID 62839148
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
CID 79401234
2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride
CID 119906348
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043303
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371580
N-(cyclopropylcarbamoyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131574
2-(4-aminopiperidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 43556566
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655086

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide (CID 43162505) is N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide is O=C(CN1CCCNCC1)NC(=O)NC1CC1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is UOSIKNMXDBWYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c16-10(14-11(17)13-9-2-3-9)8-15-6-1-4-12-5-7-15/h9,12H,1-8H2,(H2,13,14,16,17).
What are the key properties of N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide?
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 240.31 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 43162505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).