N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide

C15H28N2O2 — CID 58124607

IUPACN-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)C(C(=O)NCCNC(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-10(2)12(15(3,4)5)14(19)17-9-8-16-13(18)11-6-7-11/h10-12H,6-9H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyNAHIDSJNWUVGQC-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds6

About N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 58124607) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID58124607
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)C(C(=O)NCCNC(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-10(2)12(15(3,4)5)14(19)17-9-8-16-13(18)11-6-7-11/h10-12H,6-9H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyNAHIDSJNWUVGQC-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide (CID 58124607) is N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide is CC(C)C(C(=O)NCCNC(=O)C1CC1)C(C)(C)C.
What is the InChIKey of N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is NAHIDSJNWUVGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10(2)12(15(3,4)5)14(19)17-9-8-16-13(18)11-6-7-11/h10-12H,6-9H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,3-dimethyl-2-propan-2-ylbutanoyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 58124607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).