3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide

C25H32N4O5 — CID 55883630

IUPAC3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(NC(=O)NC3CC3)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C25H32N4O5/c1-32-22-9-6-17(15-23(22)33-2)21(29-10-12-34-13-11-29)16-26-24(30)18-4-3-5-20(14-18)28-25(31)27-19-7-8-19/h3-6,9,14-15,19,21H,7-8,10-13,16H2,1-2H3,(H,26,30)(H2,27,28,31)
InChIKeyJVVWTVZLYWTBKS-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.79
Rot. Bonds9

About 3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide

3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 55883630) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID55883630
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(NC(=O)NC3CC3)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C25H32N4O5/c1-32-22-9-6-17(15-23(22)33-2)21(29-10-12-34-13-11-29)16-26-24(30)18-4-3-5-20(14-18)28-25(31)27-19-7-8-19/h3-6,9,14-15,19,21H,7-8,10-13,16H2,1-2H3,(H,26,30)(H2,27,28,31)
InChIKeyJVVWTVZLYWTBKS-UHFFFAOYSA-N
XLogP2.79
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55388124
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 46525244
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 39110513
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24647039
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24646979
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 43019513

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide (CID 55883630) is 3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide is COc1ccc(C(CNC(=O)c2cccc(NC(=O)NC3CC3)c2)N2CCOCC2)cc1OC.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is JVVWTVZLYWTBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-32-22-9-6-17(15-23(22)33-2)21(29-10-12-34-13-11-29)16-26-24(30)18-4-3-5-20(14-18)28-25(31)27-19-7-8-19/h3-6,9,14-15,19,21H,7-8,10-13,16H2,1-2H3,(H,26,30)(H2,27,28,31).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 468.55 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 55883630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).