N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide

C17H24N2O — CID 125174792

IUPACN-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCc1ccccc1CC1(NC(=O)C[C@@H]2CCNC2)CC1
InChIInChI=1S/C17H24N2O/c1-13-4-2-3-5-15(13)11-17(7-8-17)19-16(20)10-14-6-9-18-12-14/h2-5,14,18H,6-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyHMHKDPJZASCLCQ-AWEZNQCLSA-N
MW272.39 g/mol
LogP2.19
Rot. Bonds5

About N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide

N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 125174792) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID125174792
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCc1ccccc1CC1(NC(=O)C[C@@H]2CCNC2)CC1
InChIInChI=1S/C17H24N2O/c1-13-4-2-3-5-15(13)11-17(7-8-17)19-16(20)10-14-6-9-18-12-14/h2-5,14,18H,6-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyHMHKDPJZASCLCQ-AWEZNQCLSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 125444862
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide
CID 82133784
(2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
CID 125438025
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
CID 122559595
N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide
CID 114254707
2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
CID 79845652
2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 54943798
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
3-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769826
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol
CID 114501868

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide (CID 125174792) is N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide is Cc1ccccc1CC1(NC(=O)C[C@@H]2CCNC2)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is HMHKDPJZASCLCQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-4-2-3-5-15(13)11-17(7-8-17)19-16(20)10-14-6-9-18-12-14/h2-5,14,18H,6-12H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide?
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 272.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 125174792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).