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

C12H22N4O2 — CID 62839148

IUPACN-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
SMILESO=C(CN1CCCNCC1)NCC(=O)NC1CC1
InChIInChI=1S/C12H22N4O2/c17-11(15-10-2-3-10)8-14-12(18)9-16-6-1-4-13-5-7-16/h10,13H,1-9H2,(H,14,18)(H,15,17)
InChIKeyVKOOETLQPVXWEW-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.32
Rot. Bonds5

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

N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide (PubChem CID 62839148) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
PubChem CID62839148
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
SMILESO=C(CN1CCCNCC1)NCC(=O)NC1CC1
InChIInChI=1S/C12H22N4O2/c17-11(15-10-2-3-10)8-14-12(18)9-16-6-1-4-13-5-7-16/h10,13H,1-9H2,(H,14,18)(H,15,17)
InChIKeyVKOOETLQPVXWEW-UHFFFAOYSA-N
XLogP-1.32
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
CID 79401234
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043303
4-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525940
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide
CID 55228378
N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide
CID 55121307
N-[(1R)-1-cyclohexylethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81386070
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 62839766

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide (CID 62839148) is N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide is O=C(CN1CCCNCC1)NCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide?
The InChIKey is VKOOETLQPVXWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c17-11(15-10-2-3-10)8-14-12(18)9-16-6-1-4-13-5-7-16/h10,13H,1-9H2,(H,14,18)(H,15,17).
What are the key properties of N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide?
N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide has a molecular weight of 254.33 g/mol, XLogP of -1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 62839148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).