N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide

C18H21N3O2 — CID 89335442

IUPACN-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide
SMILESNN(N=O)C(=O)CCc1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c19-21(20-23)18(22)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14,19H2
InChIKeyACOSFLPRSAKDPD-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.18
Rot. Bonds8

About N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide

N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide (PubChem CID 89335442) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide
PubChem CID89335442
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide
SMILESNN(N=O)C(=O)CCc1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c19-21(20-23)18(22)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14,19H2
InChIKeyACOSFLPRSAKDPD-UHFFFAOYSA-N
XLogP3.18
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide?
The IUPAC name of N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide (CID 89335442) is N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide.
What is the SMILES notation for N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide?
The canonical SMILES for N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide is NN(N=O)C(=O)CCc1ccc(CCCc2ccccc2)cc1.
What is the InChIKey of N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide?
The InChIKey is ACOSFLPRSAKDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-21(20-23)18(22)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14,19H2.
What are the key properties of N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide?
N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide has a molecular weight of 311.39 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-nitroso-3-[4-(3-phenylpropyl)phenyl]propanamide is sourced from PubChem (CID 89335442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).