2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide

C17H25N3O3 — CID 91761784

IUPAC2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide
SMILESCN(C)C(=O)NCC(=O)NC(Cc1ccccc1)C1CC(O)C1
InChIInChI=1S/C17H25N3O3/c1-20(2)17(23)18-11-16(22)19-15(13-9-14(21)10-13)8-12-6-4-3-5-7-12/h3-7,13-15,21H,8-11H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyXGHIEWUOVSSUNG-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.76
Rot. Bonds6

About 2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide

2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide (PubChem CID 91761784) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide
PubChem CID91761784
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide
SMILESCN(C)C(=O)NCC(=O)NC(Cc1ccccc1)C1CC(O)C1
InChIInChI=1S/C17H25N3O3/c1-20(2)17(23)18-11-16(22)19-15(13-9-14(21)10-13)8-12-6-4-3-5-7-12/h3-7,13-15,21H,8-11H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyXGHIEWUOVSSUNG-UHFFFAOYSA-N
XLogP0.76
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-methoxyacetamide
CID 91794448
3-(2-amino-1,3-thiazol-4-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]propanamide
CID 91762539
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91788825
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 91781993
3-[(1-cyclopropyl-2-phenylethyl)carbamoyl-methylamino]propanoic acid
CID 122002942
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 91786060
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 91786219
3-(2-fluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]propanamide
CID 91766999
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
3-[(1S)-1,2-diphenylethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 99857981
3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 91662159
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91767171

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide (CID 91761784) is 2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide is CN(C)C(=O)NCC(=O)NC(Cc1ccccc1)C1CC(O)C1.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide?
The InChIKey is XGHIEWUOVSSUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20(2)17(23)18-11-16(22)19-15(13-9-14(21)10-13)8-12-6-4-3-5-7-12/h3-7,13-15,21H,8-11H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide?
2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide is sourced from PubChem (CID 91761784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).