N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide

C26H34N2O3 — CID 92989898

IUPACN-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide
SMILESCOc1cccc(CN2CCO[C@H](CN(C(=O)c3ccc(C)cc3)C3CCCC3)C2)c1
InChIInChI=1S/C26H34N2O3/c1-20-10-12-22(13-11-20)26(29)28(23-7-3-4-8-23)19-25-18-27(14-15-31-25)17-21-6-5-9-24(16-21)30-2/h5-6,9-13,16,23,25H,3-4,7-8,14-15,17-19H2,1-2H3/t25-/m0/s1
InChIKeyDDEBJLRDNUQEKC-VWLOTQADSA-N
MW422.57 g/mol
LogP4.29
Rot. Bonds7

About N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide

N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide (PubChem CID 92989898) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide
PubChem CID92989898
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide
SMILESCOc1cccc(CN2CCO[C@H](CN(C(=O)c3ccc(C)cc3)C3CCCC3)C2)c1
InChIInChI=1S/C26H34N2O3/c1-20-10-12-22(13-11-20)26(29)28(23-7-3-4-8-23)19-25-18-27(14-15-31-25)17-21-6-5-9-24(16-21)30-2/h5-6,9-13,16,23,25H,3-4,7-8,14-15,17-19H2,1-2H3/t25-/m0/s1
InChIKeyDDEBJLRDNUQEKC-VWLOTQADSA-N
XLogP4.29
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-[[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-fluorobenzamide
CID 42862531
N-cyclopentyl-N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862547
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989858
N-cyclopentyl-N-[[4-(2-hydroxy-3-phenylmethoxypropyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862417
N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862421
N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42862094
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 42862529
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989874
[4-[[(2S)-4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92989684
cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone
CID 99786810
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 46060121

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide (CID 92989898) is N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide is COc1cccc(CN2CCO[C@H](CN(C(=O)c3ccc(C)cc3)C3CCCC3)C2)c1.
What is the InChIKey of N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide?
The InChIKey is DDEBJLRDNUQEKC-VWLOTQADSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-20-10-12-22(13-11-20)26(29)28(23-7-3-4-8-23)19-25-18-27(14-15-31-25)17-21-6-5-9-24(16-21)30-2/h5-6,9-13,16,23,25H,3-4,7-8,14-15,17-19H2,1-2H3/t25-/m0/s1.
What are the key properties of N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide?
N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide has a molecular weight of 422.57 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 92989898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).