2-(carbamoylamino)-2-phenyl-N-propylacetamide

C12H17N3O2 — CID 60723613

IUPAC2-(carbamoylamino)-2-phenyl-N-propylacetamide
SMILESCCCNC(=O)C(NC(N)=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-2-8-14-11(16)10(15-12(13)17)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyOWLRZXCDEBBSMB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.92
Rot. Bonds5

About 2-(carbamoylamino)-2-phenyl-N-propylacetamide

2-(carbamoylamino)-2-phenyl-N-propylacetamide (PubChem CID 60723613) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(carbamoylamino)-2-phenyl-N-propylacetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-2-phenyl-N-propylacetamide
PubChem CID60723613
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(carbamoylamino)-2-phenyl-N-propylacetamide
SMILESCCCNC(=O)C(NC(N)=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-2-8-14-11(16)10(15-12(13)17)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyOWLRZXCDEBBSMB-UHFFFAOYSA-N
XLogP0.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
CID 106842975
2-(carbamoylamino)-N-[(2R)-2-hydroxypropyl]-2-phenylacetamide
CID 83031308
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 83030049
2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
CID 65031979
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
CID 106165291
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174600
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide
CID 115776830
2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62521560
2-(carbamoylamino)-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 82723266
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-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 106181018

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-2-phenyl-N-propylacetamide?
The IUPAC name of 2-(carbamoylamino)-2-phenyl-N-propylacetamide (CID 60723613) is 2-(carbamoylamino)-2-phenyl-N-propylacetamide.
What is the SMILES notation for 2-(carbamoylamino)-2-phenyl-N-propylacetamide?
The canonical SMILES for 2-(carbamoylamino)-2-phenyl-N-propylacetamide is CCCNC(=O)C(NC(N)=O)c1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-2-phenyl-N-propylacetamide?
The InChIKey is OWLRZXCDEBBSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-8-14-11(16)10(15-12(13)17)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,16)(H3,13,15,17).
What are the key properties of 2-(carbamoylamino)-2-phenyl-N-propylacetamide?
2-(carbamoylamino)-2-phenyl-N-propylacetamide has a molecular weight of 235.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-2-phenyl-N-propylacetamide is sourced from PubChem (CID 60723613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).