N-(4-butylphenyl)-N-phenylnitrous amide

C16H18N2O — CID 19021333

IUPACN-(4-butylphenyl)-N-phenylnitrous amide
SMILESCCCCc1ccc(N(N=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-2-3-7-14-10-12-16(13-11-14)18(17-19)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3
InChIKeyRGHOUNVOFQQYMD-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.85
Rot. Bonds6

About N-(4-butylphenyl)-N-phenylnitrous amide

N-(4-butylphenyl)-N-phenylnitrous amide (PubChem CID 19021333) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-butylphenyl)-N-phenylnitrous amide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N-phenylnitrous amide
PubChem CID19021333
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(4-butylphenyl)-N-phenylnitrous amide
SMILESCCCCc1ccc(N(N=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-2-3-7-14-10-12-16(13-11-14)18(17-19)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3
InChIKeyRGHOUNVOFQQYMD-UHFFFAOYSA-N
XLogP4.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
9-N,10-N-bis(4-butylphenyl)-9-N,10-N-diphenylphenanthrene-9,10-diamine
CID 21480306
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
1-N,4-N-bis(3,5-dibutylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842982
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
butylbenzene;carbonic acid
CID 158278492
4-butyl-N-hydroxy-N-phenylbenzamide
CID 14768049
butylbenzene;propylbenzene
CID 142022125

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N-phenylnitrous amide?
The IUPAC name of N-(4-butylphenyl)-N-phenylnitrous amide (CID 19021333) is N-(4-butylphenyl)-N-phenylnitrous amide.
What is the SMILES notation for N-(4-butylphenyl)-N-phenylnitrous amide?
The canonical SMILES for N-(4-butylphenyl)-N-phenylnitrous amide is CCCCc1ccc(N(N=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N-phenylnitrous amide?
The InChIKey is RGHOUNVOFQQYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-3-7-14-10-12-16(13-11-14)18(17-19)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3.
What are the key properties of N-(4-butylphenyl)-N-phenylnitrous amide?
N-(4-butylphenyl)-N-phenylnitrous amide has a molecular weight of 254.33 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N-phenylnitrous amide is sourced from PubChem (CID 19021333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).