N-(butoxyamino)-N-(3-methoxyphenyl)formamide

C12H18N2O3 — CID 174649793

IUPACN-(butoxyamino)-N-(3-methoxyphenyl)formamide
SMILESCCCCONN(C=O)c1cccc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-3-4-8-17-13-14(10-15)11-6-5-7-12(9-11)16-2/h5-7,9-10,13H,3-4,8H2,1-2H3
InChIKeyHIMZTEXDPAFMEV-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.89
Rot. Bonds8

About N-(butoxyamino)-N-(3-methoxyphenyl)formamide

N-(butoxyamino)-N-(3-methoxyphenyl)formamide (PubChem CID 174649793) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(butoxyamino)-N-(3-methoxyphenyl)formamide.

Molecular Properties

Compound NameN-(butoxyamino)-N-(3-methoxyphenyl)formamide
PubChem CID174649793
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(butoxyamino)-N-(3-methoxyphenyl)formamide
SMILESCCCCONN(C=O)c1cccc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-3-4-8-17-13-14(10-15)11-6-5-7-12(9-11)16-2/h5-7,9-10,13H,3-4,8H2,1-2H3
InChIKeyHIMZTEXDPAFMEV-UHFFFAOYSA-N
XLogP1.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N-hydroxy-N-(3-methoxyphenyl)non-2-enamide
CID 173033279
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
3-(3-methoxy-N-pentylanilino)-2-methylpropanoic acid
CID 82318197
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
1-(N-ethyl-3-methoxyanilino)-3-sulfonylpropan-2-ol
CID 151238231
3-methoxy-N,N-disilylaniline
CID 149149494
1-(butoxymethoxy)-3-methoxybenzene
CID 142960722
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide
CID 107145312

Frequently Asked Questions

What is the IUPAC name of N-(butoxyamino)-N-(3-methoxyphenyl)formamide?
The IUPAC name of N-(butoxyamino)-N-(3-methoxyphenyl)formamide (CID 174649793) is N-(butoxyamino)-N-(3-methoxyphenyl)formamide.
What is the SMILES notation for N-(butoxyamino)-N-(3-methoxyphenyl)formamide?
The canonical SMILES for N-(butoxyamino)-N-(3-methoxyphenyl)formamide is CCCCONN(C=O)c1cccc(OC)c1.
What is the InChIKey of N-(butoxyamino)-N-(3-methoxyphenyl)formamide?
The InChIKey is HIMZTEXDPAFMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-4-8-17-13-14(10-15)11-6-5-7-12(9-11)16-2/h5-7,9-10,13H,3-4,8H2,1-2H3.
What are the key properties of N-(butoxyamino)-N-(3-methoxyphenyl)formamide?
N-(butoxyamino)-N-(3-methoxyphenyl)formamide has a molecular weight of 238.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxyamino)-N-(3-methoxyphenyl)formamide is sourced from PubChem (CID 174649793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).