N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide

C18H36N2O — CID 98160006

IUPACN-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide
SMILESCCCCCCCCC[C@H](C)N(C)C(=O)CN1CCCC1
InChIInChI=1S/C18H36N2O/c1-4-5-6-7-8-9-10-13-17(2)19(3)18(21)16-20-14-11-12-15-20/h17H,4-16H2,1-3H3/t17-/m0/s1
InChIKeyLLDZJBCARZMJQN-KRWDZBQOSA-N
MW296.50 g/mol
LogP4.07
Rot. Bonds11

About N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide

N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide (PubChem CID 98160006) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide
PubChem CID98160006
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide
SMILESCCCCCCCCC[C@H](C)N(C)C(=O)CN1CCCC1
InChIInChI=1S/C18H36N2O/c1-4-5-6-7-8-9-10-13-17(2)19(3)18(21)16-20-14-11-12-15-20/h17H,4-16H2,1-3H3/t17-/m0/s1
InChIKeyLLDZJBCARZMJQN-KRWDZBQOSA-N
XLogP4.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924
2-(4-octan-2-ylpiperazin-1-yl)acetic acid
CID 65055294
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
acetic acid;1-dodecylpyrrolidine
CID 175583827
1-hexylpyrrolidine;propan-2-amine
CID 166169325
1-[4-(2-oxodecyl)-1,4-diazepan-1-yl]decan-2-one
CID 66920423
3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one
CID 129054004
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 62839862
N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 86879276

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide?
The IUPAC name of N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide (CID 98160006) is N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide?
The canonical SMILES for N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide is CCCCCCCCC[C@H](C)N(C)C(=O)CN1CCCC1.
What is the InChIKey of N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide?
The InChIKey is LLDZJBCARZMJQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-5-6-7-8-9-10-13-17(2)19(3)18(21)16-20-14-11-12-15-20/h17H,4-16H2,1-3H3/t17-/m0/s1.
What are the key properties of N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide?
N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide has a molecular weight of 296.50 g/mol, XLogP of 4.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrolidin-1-yl-N-[(2S)-undecan-2-yl]acetamide is sourced from PubChem (CID 98160006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).