2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide

C11H18N2O — CID 170232396

IUPAC2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCC(N)C(=O)NC1=CCC(C)(C)C=C1
InChIInChI=1S/C11H18N2O/c1-8(12)10(14)13-9-4-6-11(2,3)7-5-9/h4-6,8H,7,12H2,1-3H3,(H,13,14)
InChIKeyRSUVKHUXJJEUKM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.32
Rot. Bonds2

About 2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide

2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide (PubChem CID 170232396) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide
PubChem CID170232396
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCC(N)C(=O)NC1=CCC(C)(C)C=C1
InChIInChI=1S/C11H18N2O/c1-8(12)10(14)13-9-4-6-11(2,3)7-5-9/h4-6,8H,7,12H2,1-3H3,(H,13,14)
InChIKeyRSUVKHUXJJEUKM-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,6-dibromophenyl)propanamide
CID 12546848
2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
(2R)-2-amino-N-phenylpropanamide
CID 10607114
(2S)-2-amino-N-thiophen-2-ylpropanamide
CID 54155210
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid
CID 82830134
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 43700348

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide?
The IUPAC name of 2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide (CID 170232396) is 2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide.
What is the SMILES notation for 2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide?
The canonical SMILES for 2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide is CC(N)C(=O)NC1=CCC(C)(C)C=C1.
What is the InChIKey of 2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide?
The InChIKey is RSUVKHUXJJEUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(12)10(14)13-9-4-6-11(2,3)7-5-9/h4-6,8H,7,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide?
2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide has a molecular weight of 194.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide is sourced from PubChem (CID 170232396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).