1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide

C11H21NO — CID 165063753

IUPAC1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCCC1(C(=O)N[C@H](C)C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-5-11(6-7-11)10(13)12-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13)/t9-/m1/s1
InChIKeyBKKCTSOQNPYHCJ-SECBINFHSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds4

About 1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide

1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide (PubChem CID 165063753) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
PubChem CID165063753
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCCC1(C(=O)N[C@H](C)C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-5-11(6-7-11)10(13)12-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13)/t9-/m1/s1
InChIKeyBKKCTSOQNPYHCJ-SECBINFHSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide (CID 165063753) is 1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide is CCC1(C(=O)N[C@H](C)C(C)C)CC1.
What is the InChIKey of 1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is BKKCTSOQNPYHCJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-11(6-7-11)10(13)12-9(4)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,13)/t9-/m1/s1.
What are the key properties of 1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide?
1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 183.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165063753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).