2-(phenylmethylamino)acetamide;yttrium

C9H11N2OY- — CID 58782657

IUPAC2-(phenylmethylamino)acetamide;yttrium
SMILESNC(=O)CNCc1cc[c-]cc1.[Y]
InChIInChI=1S/C9H11N2O.Y/c10-9(12)7-11-6-8-4-2-1-3-5-8;/h2-5,11H,6-7H2,(H2,10,12);/q-1;
InChIKeyPGJXJZOGPFVBAP-UHFFFAOYSA-N
MW252.11 g/mol
LogP0.06
Rot. Bonds4

About 2-(phenylmethylamino)acetamide;yttrium

2-(phenylmethylamino)acetamide;yttrium (PubChem CID 58782657) has the molecular formula C9H11N2OY- and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-(phenylmethylamino)acetamide;yttrium.

Molecular Properties

Compound Name2-(phenylmethylamino)acetamide;yttrium
PubChem CID58782657
Molecular FormulaC9H11N2OY-
Molecular Weight252.11 g/mol
Exact Mass251.99
IUPAC Name2-(phenylmethylamino)acetamide;yttrium
SMILESNC(=O)CNCc1cc[c-]cc1.[Y]
InChIInChI=1S/C9H11N2O.Y/c10-9(12)7-11-6-8-4-2-1-3-5-8;/h2-5,11H,6-7H2,(H2,10,12);/q-1;
InChIKeyPGJXJZOGPFVBAP-UHFFFAOYSA-N
XLogP0.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexa-2,4-dien-1-ylamino)-N-methylacetamide
CID 17803039
1,3,4,9a-Tetrahydro-1,4-benzodiazepin-2-one
CID 23148202
2-(Cyclohexa-2,4-dien-1-ylamino)acetamide
CID 70387720
(2S)-2-(cyclohexa-2,4-dien-1-ylamino)propanamide
CID 70420946
N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide
CID 122663069
N,5-dimethyl-1,2-dihydropyridine-2-carboxamide
CID 122692046
2-[4-(2-Methylidenehexa-3,5-dienyl)piperazin-1-yl]acetamide
CID 123371564
2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide
CID 123468915
N,N-dimethyl-2-[[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]amino]acetamide
CID 138705035
2-(5-Methylhexa-3,5-dienylamino)acetamide
CID 139967857
2-[cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]-N-methylacetamide
CID 142143283
1,3,4,9-Tetrahydrocyclohepta[b]pyrazin-2-one
CID 142253018

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethylamino)acetamide;yttrium?
The IUPAC name of 2-(phenylmethylamino)acetamide;yttrium (CID 58782657) is 2-(phenylmethylamino)acetamide;yttrium.
What is the SMILES notation for 2-(phenylmethylamino)acetamide;yttrium?
The canonical SMILES for 2-(phenylmethylamino)acetamide;yttrium is NC(=O)CNCc1cc[c-]cc1.[Y].
What is the InChIKey of 2-(phenylmethylamino)acetamide;yttrium?
The InChIKey is PGJXJZOGPFVBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2O.Y/c10-9(12)7-11-6-8-4-2-1-3-5-8;/h2-5,11H,6-7H2,(H2,10,12);/q-1;.
What are the key properties of 2-(phenylmethylamino)acetamide;yttrium?
2-(phenylmethylamino)acetamide;yttrium has a molecular weight of 252.11 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethylamino)acetamide;yttrium is sourced from PubChem (CID 58782657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).