2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

C19H30N2O2 — CID 95974806

IUPAC2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C19H30N2O2/c1-15(2)23-13-7-11-20-19(22)14-21-12-10-18(16(21)3)17-8-5-4-6-9-17/h4-6,8-9,15-16,18H,7,10-14H2,1-3H3,(H,20,22)/t16-,18+/m1/s1
InChIKeyAXJUHJQZDWJYFU-AEFFLSMTSA-N
MW318.46 g/mol
LogP2.80
Rot. Bonds8

About 2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 95974806) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID95974806
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C19H30N2O2/c1-15(2)23-13-7-11-20-19(22)14-21-12-10-18(16(21)3)17-8-5-4-6-9-17/h4-6,8-9,15-16,18H,7,10-14H2,1-3H3,(H,20,22)/t16-,18+/m1/s1
InChIKeyAXJUHJQZDWJYFU-AEFFLSMTSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 56550582
2-[2,2-dioxo-3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-2λ6,1,3-benzothiadiazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 55583841
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 63256081
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
CID 119907220
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate
CID 62028758
2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiomorpholin-3-yl]acetic acid
CID 66443179
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907219
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 95974806) is 2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C.
What is the InChIKey of 2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is AXJUHJQZDWJYFU-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(2)23-13-7-11-20-19(22)14-21-12-10-18(16(21)3)17-8-5-4-6-9-17/h4-6,8-9,15-16,18H,7,10-14H2,1-3H3,(H,20,22)/t16-,18+/m1/s1.
What are the key properties of 2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 95974806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).