2-(butylamino)-2-phenylacetamide

C12H18N2O — CID 14569005

IUPAC2-(butylamino)-2-phenylacetamide
SMILESCCCCNC(C(N)=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-3-9-14-11(12(13)15)10-7-5-4-6-8-10/h4-8,11,14H,2-3,9H2,1H3,(H2,13,15)
InChIKeyKNTIDVSWVXVRRF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.60
Rot. Bonds6

About 2-(butylamino)-2-phenylacetamide

2-(butylamino)-2-phenylacetamide (PubChem CID 14569005) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(butylamino)-2-phenylacetamide.

Molecular Properties

Compound Name2-(butylamino)-2-phenylacetamide
PubChem CID14569005
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(butylamino)-2-phenylacetamide
SMILESCCCCNC(C(N)=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-3-9-14-11(12(13)15)10-7-5-4-6-8-10/h4-8,11,14H,2-3,9H2,1H3,(H2,13,15)
InChIKeyKNTIDVSWVXVRRF-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
N'-butyl-2-phenylpropanediamide
CID 70180418
(2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide
CID 71108651
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
CID 33481434
2-(1-benzofuran-2-yl)-2-(butylamino)acetamide
CID 25057245
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
2-(butylamino)-2-(4-ethylphenyl)acetic acid
CID 84747252
2-hydroxy-4-(nonylamino)-4-phenylbutanamide
CID 70399961
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-2-phenylacetamide?
The IUPAC name of 2-(butylamino)-2-phenylacetamide (CID 14569005) is 2-(butylamino)-2-phenylacetamide.
What is the SMILES notation for 2-(butylamino)-2-phenylacetamide?
The canonical SMILES for 2-(butylamino)-2-phenylacetamide is CCCCNC(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(butylamino)-2-phenylacetamide?
The InChIKey is KNTIDVSWVXVRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-3-9-14-11(12(13)15)10-7-5-4-6-8-10/h4-8,11,14H,2-3,9H2,1H3,(H2,13,15).
What are the key properties of 2-(butylamino)-2-phenylacetamide?
2-(butylamino)-2-phenylacetamide has a molecular weight of 206.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-2-phenylacetamide is sourced from PubChem (CID 14569005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).