4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide

C14H24N2O — CID 70892645

IUPAC4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide
SMILESCC[C@@H](C)C1=CC=C(NC(=O)CCCN)CC1
InChIInChI=1S/C14H24N2O/c1-3-11(2)12-6-8-13(9-7-12)16-14(17)5-4-10-15/h6,8,11H,3-5,7,9-10,15H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyXUQFHWGTJSCUCK-LLVKDONJSA-N
MW236.36 g/mol
LogP2.49
Rot. Bonds6

About 4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide

4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide (PubChem CID 70892645) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide
PubChem CID70892645
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide
SMILESCC[C@@H](C)C1=CC=C(NC(=O)CCCN)CC1
InChIInChI=1S/C14H24N2O/c1-3-11(2)12-6-8-13(9-7-12)16-14(17)5-4-10-15/h6,8,11H,3-5,7,9-10,15H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyXUQFHWGTJSCUCK-LLVKDONJSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70974448
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CID 71040373
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CID 71040556
CID 71040556
CID 71047423
CID 71047423
CID 89202749
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CID 89214882
CID 89214882

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide?
The IUPAC name of 4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide (CID 70892645) is 4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide.
What is the SMILES notation for 4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide?
The canonical SMILES for 4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide is CC[C@@H](C)C1=CC=C(NC(=O)CCCN)CC1.
What is the InChIKey of 4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide?
The InChIKey is XUQFHWGTJSCUCK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-11(2)12-6-8-13(9-7-12)16-14(17)5-4-10-15/h6,8,11H,3-5,7,9-10,15H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide?
4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide has a molecular weight of 236.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide is sourced from PubChem (CID 70892645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).