N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

C20H37N3O2 — CID 3240291

IUPACN-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCN1CCCC1CNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)C
InChIInChI=1S/C20H37N3O2/c1-5-23-12-6-7-17(23)13-21-20(25)18(14(2)3)22-19(24)16-10-8-15(4)9-11-16/h14-18H,5-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyFDJRHCIWWPNQCN-UHFFFAOYSA-N
MW351.53 g/mol
LogP2.55
Rot. Bonds7

About N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 3240291) has the molecular formula C20H37N3O2 and a molecular weight of 351.53 g/mol. Its IUPAC name is N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID3240291
Molecular FormulaC20H37N3O2
Molecular Weight351.53 g/mol
Exact Mass351.29
IUPAC NameN-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCN1CCCC1CNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)C
InChIInChI=1S/C20H37N3O2/c1-5-23-12-6-7-17(23)13-21-20(25)18(14(2)3)22-19(24)16-10-8-15(4)9-11-16/h14-18H,5-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyFDJRHCIWWPNQCN-UHFFFAOYSA-N
XLogP2.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 3240291) is N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is CCN1CCCC1CNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)C.
What is the InChIKey of N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is FDJRHCIWWPNQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-5-23-12-6-7-17(23)13-21-20(25)18(14(2)3)22-19(24)16-10-8-15(4)9-11-16/h14-18H,5-13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 351.53 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 3240291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).