2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide

C14H21N3O3 — CID 115776830

IUPAC2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide
SMILESCCC(CCO)NC(=O)C(NC(N)=O)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-2-11(8-9-18)16-13(19)12(17-14(15)20)10-6-4-3-5-7-10/h3-7,11-12,18H,2,8-9H2,1H3,(H,16,19)(H3,15,17,20)
InChIKeyDUVUFJXSNGGUSX-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.67
Rot. Bonds7

About 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide

2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide (PubChem CID 115776830) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide
PubChem CID115776830
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide
SMILESCCC(CCO)NC(=O)C(NC(N)=O)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-2-11(8-9-18)16-13(19)12(17-14(15)20)10-6-4-3-5-7-10/h3-7,11-12,18H,2,8-9H2,1H3,(H,16,19)(H3,15,17,20)
InChIKeyDUVUFJXSNGGUSX-UHFFFAOYSA-N
XLogP0.67
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62521560
2-(carbamoylamino)-2-phenyl-N-propylacetamide
CID 60723613
2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
CID 106842975
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 43500841
(2S)-2-[[2-(carbamoylamino)-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 61136132
2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
CID 65031979
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
CID 113341041
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
2-(carbamoylamino)-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 82723266
2-(carbamoylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 106181018

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide?
The IUPAC name of 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide (CID 115776830) is 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide is CCC(CCO)NC(=O)C(NC(N)=O)c1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide?
The InChIKey is DUVUFJXSNGGUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-11(8-9-18)16-13(19)12(17-14(15)20)10-6-4-3-5-7-10/h3-7,11-12,18H,2,8-9H2,1H3,(H,16,19)(H3,15,17,20).
What are the key properties of 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide?
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide has a molecular weight of 279.34 g/mol, XLogP of 0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide is sourced from PubChem (CID 115776830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).