3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide

C16H24N2O — CID 104971869

IUPAC3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide
SMILESCc1cccc(CCC(=O)NCC[C@H]2CCCN2)c1
InChIInChI=1S/C16H24N2O/c1-13-4-2-5-14(12-13)7-8-16(19)18-11-9-15-6-3-10-17-15/h2,4-5,12,15,17H,3,6-11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyIQNBHUKCGKNFGG-OAHLLOKOSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds6

About 3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide

3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide (PubChem CID 104971869) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide
PubChem CID104971869
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide
SMILESCc1cccc(CCC(=O)NCC[C@H]2CCCN2)c1
InChIInChI=1S/C16H24N2O/c1-13-4-2-5-14(12-13)7-8-16(19)18-11-9-15-6-3-10-17-15/h2,4-5,12,15,17H,3,6-11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyIQNBHUKCGKNFGG-OAHLLOKOSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 62315398
3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide
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2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
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N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
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2-[2-(3-methylphenyl)ethyl]azepane
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N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 80518129
N-[2-(3-methylphenyl)ethyl]-3-piperidin-4-yloxypropanamide
CID 63903931
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide (CID 104971869) is 3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide is Cc1cccc(CCC(=O)NCC[C@H]2CCCN2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide?
The InChIKey is IQNBHUKCGKNFGG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-4-2-5-14(12-13)7-8-16(19)18-11-9-15-6-3-10-17-15/h2,4-5,12,15,17H,3,6-11H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide?
3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide is sourced from PubChem (CID 104971869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).