(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide

C24H29N3O3 — CID 51587539

IUPAC(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide
SMILESCc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1
InChIInChI=1S/C24H29N3O3/c1-17(15-27-18(2)25-20-10-3-5-12-22(20)27)24(28)26-21-11-4-6-13-23(21)30-16-19-9-7-8-14-29-19/h3-6,10-13,17,19H,7-9,14-16H2,1-2H3,(H,26,28)/t17-,19+/m1/s1
InChIKeyKVECPLFORZMVSL-MJGOQNOKSA-N
MW407.51 g/mol
LogP4.57
Rot. Bonds7

About (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide

(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide (PubChem CID 51587539) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide
PubChem CID51587539
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide
SMILESCc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1
InChIInChI=1S/C24H29N3O3/c1-17(15-27-18(2)25-20-10-3-5-12-22(20)27)24(28)26-21-11-4-6-13-23(21)30-16-19-9-7-8-14-29-19/h3-6,10-13,17,19H,7-9,14-16H2,1-2H3,(H,26,28)/t17-,19+/m1/s1
InChIKeyKVECPLFORZMVSL-MJGOQNOKSA-N
XLogP4.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide
CID 46968957
4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368185
1-(5-methylhexan-2-yl)-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577047
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60577378
2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 94103645
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
(2S)-2-(4-chlorophenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 41386334
4-methyl-4-[[2-(oxan-2-ylmethoxy)phenyl]carbamoylamino]pentanoic acid
CID 122077814
N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide
CID 86835563

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide?
The IUPAC name of (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide (CID 51587539) is (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide.
What is the SMILES notation for (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide?
The canonical SMILES for (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide is Cc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide?
The InChIKey is KVECPLFORZMVSL-MJGOQNOKSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(15-27-18(2)25-20-10-3-5-12-22(20)27)24(28)26-21-11-4-6-13-23(21)30-16-19-9-7-8-14-29-19/h3-6,10-13,17,19H,7-9,14-16H2,1-2H3,(H,26,28)/t17-,19+/m1/s1.
What are the key properties of (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide?
(2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide has a molecular weight of 407.51 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]propanamide is sourced from PubChem (CID 51587539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).