2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate

C21H26N2O3 — CID 108570960

IUPAC2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate
SMILESCC(C)COC(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-16(2)15-26-21(25)23-14-13-22-20(24)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQRDGXLXCGQTTQP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.32
Rot. Bonds8

About 2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate

2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate (PubChem CID 108570960) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate
PubChem CID108570960
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate
SMILESCC(C)COC(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-16(2)15-26-21(25)23-14-13-22-20(24)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQRDGXLXCGQTTQP-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-methylpropyl N-[2-(methylamino)ethyl]carbamate
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2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
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N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
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2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245
N-[2-(methylamino)propyl]-2,2-diphenylacetamide
CID 120829016
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CID 5143289

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate (CID 108570960) is 2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate is CC(C)COC(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate?
The InChIKey is QRDGXLXCGQTTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(2)15-26-21(25)23-14-13-22-20(24)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate?
2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate has a molecular weight of 354.45 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate is sourced from PubChem (CID 108570960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).