N-(4-azidobutyl)-2-methyl-2-phenylpropanamide

C14H20N4O — CID 114182177

IUPACN-(4-azidobutyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCCCCN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C14H20N4O/c1-14(2,12-8-4-3-5-9-12)13(19)16-10-6-7-11-17-18-15/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,16,19)
InChIKeyBRVDREHDLUSPJL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.17
Rot. Bonds7

About N-(4-azidobutyl)-2-methyl-2-phenylpropanamide

N-(4-azidobutyl)-2-methyl-2-phenylpropanamide (PubChem CID 114182177) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(4-azidobutyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-2-methyl-2-phenylpropanamide
PubChem CID114182177
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(4-azidobutyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCCCCN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C14H20N4O/c1-14(2,12-8-4-3-5-9-12)13(19)16-10-6-7-11-17-18-15/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,16,19)
InChIKeyBRVDREHDLUSPJL-UHFFFAOYSA-N
XLogP3.17
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromobutyl)-2-methyl-2-phenylpropanamide
CID 106845643
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
N-(4-azidobutyl)-4-phenylbutanamide
CID 114182194
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
CID 46532557
2-methyl-2-phenyl-N-[2-(propan-2-ylamino)ethyl]propanamide
CID 62659574
N-(4-azidobutyl)-4-(trifluoromethyl)benzamide
CID 106386467
N-(4-azidobutyl)-1-methylindazole-3-carboxamide
CID 106386463
N-(4-azidobutyl)-3-phenoxypropanamide
CID 114182203
tert-butyl N-(9-azidononyl)carbamate
CID 138393789
2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide
CID 64991414

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(4-azidobutyl)-2-methyl-2-phenylpropanamide (CID 114182177) is N-(4-azidobutyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(4-azidobutyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(4-azidobutyl)-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NCCCCN=[N+]=[N-])c1ccccc1.
What is the InChIKey of N-(4-azidobutyl)-2-methyl-2-phenylpropanamide?
The InChIKey is BRVDREHDLUSPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,12-8-4-3-5-9-12)13(19)16-10-6-7-11-17-18-15/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,16,19).
What are the key properties of N-(4-azidobutyl)-2-methyl-2-phenylpropanamide?
N-(4-azidobutyl)-2-methyl-2-phenylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 114182177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).