N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide

C10H19N3O3 — CID 116637702

IUPACN-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
SMILESNC(=O)NC(=O)CN1CCCCCC1CO
InChIInChI=1S/C10H19N3O3/c11-10(16)12-9(15)6-13-5-3-1-2-4-8(13)7-14/h8,14H,1-7H2,(H3,11,12,15,16)
InChIKeyKNOWWMAWUQMOLY-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.58
Rot. Bonds3

About N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide

N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide (PubChem CID 116637702) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
PubChem CID116637702
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
SMILESNC(=O)NC(=O)CN1CCCCCC1CO
InChIInChI=1S/C10H19N3O3/c11-10(16)12-9(15)6-13-5-3-1-2-4-8(13)7-14/h8,14H,1-7H2,(H3,11,12,15,16)
InChIKeyKNOWWMAWUQMOLY-UHFFFAOYSA-N
XLogP-0.58
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899672
2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684574
N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78942125
1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64562960
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
CID 116637743
2-[2-(hydroxymethyl)azepan-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 116637853
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441026
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 62015118
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-2-phenylacetamide
CID 60684561

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide (CID 116637702) is N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide is NC(=O)NC(=O)CN1CCCCCC1CO.
What is the InChIKey of N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The InChIKey is KNOWWMAWUQMOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-10(16)12-9(15)6-13-5-3-1-2-4-8(13)7-14/h8,14H,1-7H2,(H3,11,12,15,16).
What are the key properties of N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide has a molecular weight of 229.28 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide is sourced from PubChem (CID 116637702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).