2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid

C15H27NO3 — CID 158194042

IUPAC2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C(=O)NC1(C)CC1.CC(C)C1(C(=O)O)CC1
InChIInChI=1S/C8H15NO.C7H12O2/c1-6(2)7(10)9-8(3)4-5-8;1-5(2)7(3-4-7)6(8)9/h6H,4-5H2,1-3H3,(H,9,10);5H,3-4H2,1-2H3,(H,8,9)
InChIKeyGACULZPZQAHJTN-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid

2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 158194042) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID158194042
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C(=O)NC1(C)CC1.CC(C)C1(C(=O)O)CC1
InChIInChI=1S/C8H15NO.C7H12O2/c1-6(2)7(10)9-8(3)4-5-8;1-5(2)7(3-4-7)6(8)9/h6H,4-5H2,1-3H3,(H,9,10);5H,3-4H2,1-2H3,(H,8,9)
InChIKeyGACULZPZQAHJTN-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(4-methylpiperidin-4-yl)propanamide
CID 114696426
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
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CID 79425643
2,3-dimethyl-4-[(1-methylcyclopentyl)amino]-4-oxobutanoic acid
CID 103498024
methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
2-amino-N-(1-methylcyclopropyl)-2-phenylacetamide
CID 115747036
[1-(2-methylpropanoylamino)cyclopropyl]methanesulfonic acid
CID 134415064
2-amino-N-(1-methylcyclopropyl)pentanamide
CID 115734282
1-propan-2-ylcyclopropane-1-carbonyl chloride
CID 139221862
(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
CID 104865758
N-(1-methylcyclohexyl)-2-sulfanylpropanamide
CID 107027312
2,3,3-trimethyl-N-(1-methylcyclobutyl)butanamide
CID 146286414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid (CID 158194042) is 2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid is CC(C)C(=O)NC1(C)CC1.CC(C)C1(C(=O)O)CC1.
What is the InChIKey of 2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is GACULZPZQAHJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C7H12O2/c1-6(2)7(10)9-8(3)4-5-8;1-5(2)7(3-4-7)6(8)9/h6H,4-5H2,1-3H3,(H,9,10);5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid?
2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 158194042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).