N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

C25H32N2O5 — CID 42862094

IUPACN-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCCC(C)N(CC1CN(Cc2cccc(OC)c2)CCO1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C25H32N2O5/c1-4-18(2)27(25(28)20-8-9-23-24(13-20)32-17-31-23)16-22-15-26(10-11-30-22)14-19-6-5-7-21(12-19)29-3/h5-9,12-13,18,22H,4,10-11,14-17H2,1-3H3
InChIKeyRDSUYRGIEVKVLR-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.57
Rot. Bonds8

About N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42862094) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42862094
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCCC(C)N(CC1CN(Cc2cccc(OC)c2)CCO1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C25H32N2O5/c1-4-18(2)27(25(28)20-8-9-23-24(13-20)32-17-31-23)16-22-15-26(10-11-30-22)14-19-6-5-7-21(12-19)29-3/h5-9,12-13,18,22H,4,10-11,14-17H2,1-3H3
InChIKeyRDSUYRGIEVKVLR-UHFFFAOYSA-N
XLogP3.57
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 92989898
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone
CID 99786810
N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42862225
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 42862035
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 92989665
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 99731552
N-cyclopentyl-N-[[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-fluorobenzamide
CID 42862531
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-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 42862094) is N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide is CCC(C)N(CC1CN(Cc2cccc(OC)c2)CCO1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is RDSUYRGIEVKVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-4-18(2)27(25(28)20-8-9-23-24(13-20)32-17-31-23)16-22-15-26(10-11-30-22)14-19-6-5-7-21(12-19)29-3/h5-9,12-13,18,22H,4,10-11,14-17H2,1-3H3.
What are the key properties of N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42862094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).