N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide

C19H26N2O3 — CID 60572075

IUPACN-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide
SMILESCC(C)=CC1C(C(=O)NCCNC(=O)c2ccccc2O)C1(C)C
InChIInChI=1S/C19H26N2O3/c1-12(2)11-14-16(19(14,3)4)18(24)21-10-9-20-17(23)13-7-5-6-8-15(13)22/h5-8,11,14,16,22H,9-10H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyQGFVNOIODZWILL-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.48
Rot. Bonds6

About N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide

N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide (PubChem CID 60572075) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide
PubChem CID60572075
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide
SMILESCC(C)=CC1C(C(=O)NCCNC(=O)c2ccccc2O)C1(C)C
InChIInChI=1S/C19H26N2O3/c1-12(2)11-14-16(19(14,3)4)18(24)21-10-9-20-17(23)13-7-5-6-8-15(13)22/h5-8,11,14,16,22H,9-10H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyQGFVNOIODZWILL-UHFFFAOYSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 7330873
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 52532259
2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24534677
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537618
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
trans-(1R,3S)-N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 7319376
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide (CID 60572075) is N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide is CC(C)=CC1C(C(=O)NCCNC(=O)c2ccccc2O)C1(C)C.
What is the InChIKey of N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide?
The InChIKey is QGFVNOIODZWILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(2)11-14-16(19(14,3)4)18(24)21-10-9-20-17(23)13-7-5-6-8-15(13)22/h5-8,11,14,16,22H,9-10H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide?
N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide has a molecular weight of 330.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 60572075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).