N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide

C14H22N2O2 — CID 134106682

IUPACN'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide
SMILESCCCOc1ccc(/C(=N\O)N(C)C(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-5-10-18-13-8-6-12(7-9-13)14(15-17)16(4)11(2)3/h6-9,11,17H,5,10H2,1-4H3/b15-14+
InChIKeyKGRFBLZIXVQITI-CCEZHUSRSA-N
MW250.34 g/mol
LogP2.95
Rot. Bonds5

About N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide

N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide (PubChem CID 134106682) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide
PubChem CID134106682
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide
SMILESCCCOc1ccc(/C(=N\O)N(C)C(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-5-10-18-13-8-6-12(7-9-13)14(15-17)16(4)11(2)3/h6-9,11,17H,5,10H2,1-4H3/b15-14+
InChIKeyKGRFBLZIXVQITI-CCEZHUSRSA-N
XLogP2.95
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
1-(N-methyl-4-propoxyanilino)propan-1-ol
CID 143420791
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
(NZ)-N-[(4-methoxyphenyl)-(4-octoxyphenyl)methylidene]hydroxylamine
CID 6087643
N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495292

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide (CID 134106682) is N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide is CCCOc1ccc(/C(=N\O)N(C)C(C)C)cc1.
What is the InChIKey of N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide?
The InChIKey is KGRFBLZIXVQITI-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-10-18-13-8-6-12(7-9-13)14(15-17)16(4)11(2)3/h6-9,11,17H,5,10H2,1-4H3/b15-14+.
What are the key properties of N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide?
N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide has a molecular weight of 250.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide is sourced from PubChem (CID 134106682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).