3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide

C22H26N2O — CID 118378766

IUPAC3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide
SMILESCc1c(C[C@@H]2C[C@H]2NCC2CC2)cccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H26N2O/c1-15-17(12-18-13-21(18)23-14-16-10-11-16)6-5-9-20(15)22(25)24-19-7-3-2-4-8-19/h2-9,16,18,21,23H,10-14H2,1H3,(H,24,25)/t18-,21-/m1/s1
InChIKeyJZZUHOLBCWNJFN-WIYYLYMNSA-N
MW334.46 g/mol
LogP4.18
Rot. Bonds7

About 3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide

3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide (PubChem CID 118378766) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide
PubChem CID118378766
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide
SMILESCc1c(C[C@@H]2C[C@H]2NCC2CC2)cccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H26N2O/c1-15-17(12-18-13-21(18)23-14-16-10-11-16)6-5-9-20(15)22(25)24-19-7-3-2-4-8-19/h2-9,16,18,21,23H,10-14H2,1H3,(H,24,25)/t18-,21-/m1/s1
InChIKeyJZZUHOLBCWNJFN-WIYYLYMNSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide (CID 118378766) is 3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide is Cc1c(C[C@@H]2C[C@H]2NCC2CC2)cccc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide?
The InChIKey is JZZUHOLBCWNJFN-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H26N2O/c1-15-17(12-18-13-21(18)23-14-16-10-11-16)6-5-9-20(15)22(25)24-19-7-3-2-4-8-19/h2-9,16,18,21,23H,10-14H2,1H3,(H,24,25)/t18-,21-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide?
3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide has a molecular weight of 334.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]methyl]-2-methyl-N-phenylbenzamide is sourced from PubChem (CID 118378766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).