N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide

C20H30N2O3 — CID 59885882

IUPACN-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1cccc(CCC2(C(=O)N(C)[C@H](CC(C)C)C(=O)NO)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-14(2)12-17(18(23)21-25)22(4)19(24)20(10-11-20)9-8-16-7-5-6-15(3)13-16/h5-7,13-14,17,25H,8-12H2,1-4H3,(H,21,23)/t17-/m1/s1
InChIKeyGPEQBEDHJQRZLE-QGZVFWFLSA-N
MW346.47 g/mol
LogP3.09
Rot. Bonds8

About N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide

N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 59885882) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID59885882
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1cccc(CCC2(C(=O)N(C)[C@H](CC(C)C)C(=O)NO)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-14(2)12-17(18(23)21-25)22(4)19(24)20(10-11-20)9-8-16-7-5-6-15(3)13-16/h5-7,13-14,17,25H,8-12H2,1-4H3,(H,21,23)/t17-/m1/s1
InChIKeyGPEQBEDHJQRZLE-QGZVFWFLSA-N
XLogP3.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide
CID 21348037
N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
CID 21348032
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 62668960
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
CID 54296224
methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929872
methyl 2-amino-4-(3-methylphenyl)butanoate
CID 116851529
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide (CID 59885882) is N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide is Cc1cccc(CCC2(C(=O)N(C)[C@H](CC(C)C)C(=O)NO)CC2)c1.
What is the InChIKey of N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is GPEQBEDHJQRZLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(2)12-17(18(23)21-25)22(4)19(24)20(10-11-20)9-8-16-7-5-6-15(3)13-16/h5-7,13-14,17,25H,8-12H2,1-4H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59885882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).