2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen

C11H23NO — CID 177329792

IUPAC2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen
SMILESCC(C)C(=O)NC[C@H]1C[C@H]1C(C)C.[H][H]
InChIInChI=1S/C11H21NO.H2/c1-7(2)10-5-9(10)6-12-11(13)8(3)4;/h7-10H,5-6H2,1-4H3,(H,12,13);1H/t9-,10+;/m1./s1
InChIKeyLRWAZHYZIXBDHM-UXQCFNEQSA-N
MW185.31 g/mol
LogP2.30
Rot. Bonds4

About 2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen

2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen (PubChem CID 177329792) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen
PubChem CID177329792
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen
SMILESCC(C)C(=O)NC[C@H]1C[C@H]1C(C)C.[H][H]
InChIInChI=1S/C11H21NO.H2/c1-7(2)10-5-9(10)6-12-11(13)8(3)4;/h7-10H,5-6H2,1-4H3,(H,12,13);1H/t9-,10+;/m1./s1
InChIKeyLRWAZHYZIXBDHM-UXQCFNEQSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid
CID 122016596
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
N-(2-methylpropyl)-2-(2-propan-2-ylcyclopropyl)acetamide
CID 59481442
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
ethane;hydroxylamine;molecular hydrogen;[(1S,2S)-2-propan-2-ylcyclopropyl]methanol
CID 177330552
2-methyl-N-[[2-[3-(4-methylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]propanamide;molecular hydrogen
CID 166466687
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101
2-[ethyl-[3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122016603
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
N-[2-[acetyl(cyclopentyl)amino]ethyl]-2-methylpropanamide
CID 113052772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen?
The IUPAC name of 2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen (CID 177329792) is 2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen is CC(C)C(=O)NC[C@H]1C[C@H]1C(C)C.[H][H].
What is the InChIKey of 2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen?
The InChIKey is LRWAZHYZIXBDHM-UXQCFNEQSA-N. The full InChI is InChI=1S/C11H21NO.H2/c1-7(2)10-5-9(10)6-12-11(13)8(3)4;/h7-10H,5-6H2,1-4H3,(H,12,13);1H/t9-,10+;/m1./s1.
What are the key properties of 2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen?
2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen has a molecular weight of 185.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen is sourced from PubChem (CID 177329792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).