2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide

C16H30N4O3 — CID 95221858

IUPAC2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide
SMILESNC(=O)NCC(=O)NCC[C@@H]1CN(C2CCCCCC2)CCO1
InChIInChI=1S/C16H30N4O3/c17-16(22)19-11-15(21)18-8-7-14-12-20(9-10-23-14)13-5-3-1-2-4-6-13/h13-14H,1-12H2,(H,18,21)(H3,17,19,22)/t14-/m1/s1
InChIKeyWYRJQUWXDMCWDX-CQSZACIVSA-N
MW326.44 g/mol
LogP0.58
Rot. Bonds6

About 2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide

2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide (PubChem CID 95221858) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide
PubChem CID95221858
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide
SMILESNC(=O)NCC(=O)NCC[C@@H]1CN(C2CCCCCC2)CCO1
InChIInChI=1S/C16H30N4O3/c17-16(22)19-11-15(21)18-8-7-14-12-20(9-10-23-14)13-5-3-1-2-4-6-13/h13-14H,1-12H2,(H,18,21)(H3,17,19,22)/t14-/m1/s1
InChIKeyWYRJQUWXDMCWDX-CQSZACIVSA-N
XLogP0.58
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclohexylmorpholin-2-yl)ethanamine
CID 82284305
2-(4-cyclohexylmorpholin-2-yl)acetic acid
CID 66433671
(4-cyclohexylmorpholin-2-yl)methanol
CID 83831638
methyl 2-(4-cyclopentylmorpholin-2-yl)acetate
CID 115537752
(4-cyclopentylmorpholin-2-yl)methanol
CID 45098591
2-(bromomethyl)-4-cyclohexylmorpholine
CID 82937177
2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid
CID 66432953
(2S)-4-cyclopentyl-2-(2-phenylethyl)morpholine
CID 25369976
4-cyclopentyl-2-(2-phenylethyl)morpholine
CID 45201663
[(2R)-4-(oxan-4-yl)morpholin-2-yl]methanamine
CID 155354323
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea
CID 99854860
2-[4-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide (CID 95221858) is 2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide is NC(=O)NCC(=O)NCC[C@@H]1CN(C2CCCCCC2)CCO1.
What is the InChIKey of 2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide?
The InChIKey is WYRJQUWXDMCWDX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30N4O3/c17-16(22)19-11-15(21)18-8-7-14-12-20(9-10-23-14)13-5-3-1-2-4-6-13/h13-14H,1-12H2,(H,18,21)(H3,17,19,22)/t14-/m1/s1.
What are the key properties of 2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide?
2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-[(2R)-4-cycloheptylmorpholin-2-yl]ethyl]acetamide is sourced from PubChem (CID 95221858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).