2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide

C15H23N3O3 — CID 62521560

IUPAC2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
SMILESCCC(CC)(CO)NC(=O)C(NC(N)=O)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-3-15(4-2,10-19)18-13(20)12(17-14(16)21)11-8-6-5-7-9-11/h5-9,12,19H,3-4,10H2,1-2H3,(H,18,20)(H3,16,17,21)
InChIKeyBEWXYODGCVTTIO-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.06
Rot. Bonds7

About 2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide

2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide (PubChem CID 62521560) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
PubChem CID62521560
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
SMILESCCC(CC)(CO)NC(=O)C(NC(N)=O)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-3-15(4-2,10-19)18-13(20)12(17-14(16)21)11-8-6-5-7-9-11/h5-9,12,19H,3-4,10H2,1-2H3,(H,18,20)(H3,16,17,21)
InChIKeyBEWXYODGCVTTIO-UHFFFAOYSA-N
XLogP1.06
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 43500841
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62520326
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide
CID 115776830
2-(carbamoylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 106181018
2-(carbamoylamino)-2-phenyl-N-propylacetamide
CID 60723613
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide
CID 62521933
2-(carbamoylamino)-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 82723266
2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
CID 106842975
2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
CID 65031979
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
CID 106165291
2-(carbamoylamino)-N-[(2R)-2-hydroxypropyl]-2-phenylacetamide
CID 83031308
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 83030049

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide?
The IUPAC name of 2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide (CID 62521560) is 2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide is CCC(CC)(CO)NC(=O)C(NC(N)=O)c1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide?
The InChIKey is BEWXYODGCVTTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-15(4-2,10-19)18-13(20)12(17-14(16)21)11-8-6-5-7-9-11/h5-9,12,19H,3-4,10H2,1-2H3,(H,18,20)(H3,16,17,21).
What are the key properties of 2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide?
2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide has a molecular weight of 293.37 g/mol, XLogP of 1.06, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide is sourced from PubChem (CID 62521560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).