N-benzyl-N-(2-hydroxypropyl)nitrous amide

C10H14N2O2 — CID 12684762

IUPACN-benzyl-N-(2-hydroxypropyl)nitrous amide
SMILESCC(O)CN(Cc1ccccc1)N=O
InChIInChI=1S/C10H14N2O2/c1-9(13)7-12(11-14)8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3
InChIKeyIKIMSEIBKQBOQL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.55
Rot. Bonds5

About N-benzyl-N-(2-hydroxypropyl)nitrous amide

N-benzyl-N-(2-hydroxypropyl)nitrous amide (PubChem CID 12684762) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxypropyl)nitrous amide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxypropyl)nitrous amide
PubChem CID12684762
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-benzyl-N-(2-hydroxypropyl)nitrous amide
SMILESCC(O)CN(Cc1ccccc1)N=O
InChIInChI=1S/C10H14N2O2/c1-9(13)7-12(11-14)8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3
InChIKeyIKIMSEIBKQBOQL-UHFFFAOYSA-N
XLogP1.55
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[benzyl(hydroxy)amino]propan-2-ol
CID 14957155
N-benzyl-N-methylnitrous amide
CID 13643
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N-benzyl-N-hexylnitrous amide
CID 172967726
1-(N-benzylanilino)ethanol
CID 19010703
(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
CID 94514227
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
CID 26458234
1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride
CID 173430538
N-benzyl-N-propan-2-ylacetamide
CID 23534449
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxypropyl)nitrous amide?
The IUPAC name of N-benzyl-N-(2-hydroxypropyl)nitrous amide (CID 12684762) is N-benzyl-N-(2-hydroxypropyl)nitrous amide.
What is the SMILES notation for N-benzyl-N-(2-hydroxypropyl)nitrous amide?
The canonical SMILES for N-benzyl-N-(2-hydroxypropyl)nitrous amide is CC(O)CN(Cc1ccccc1)N=O.
What is the InChIKey of N-benzyl-N-(2-hydroxypropyl)nitrous amide?
The InChIKey is IKIMSEIBKQBOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-9(13)7-12(11-14)8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxypropyl)nitrous amide?
N-benzyl-N-(2-hydroxypropyl)nitrous amide has a molecular weight of 194.23 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxypropyl)nitrous amide is sourced from PubChem (CID 12684762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).