N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide

C26H35N3O4 — CID 3439444

IUPACN-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1N1CCC(C)CC1
InChIInChI=1S/C26H35N3O4/c1-4-33-17-5-14-27-26(31)23-18-21(8-11-24(23)29-15-12-19(2)13-16-29)28-25(30)20-6-9-22(32-3)10-7-20/h6-11,18-19H,4-5,12-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyFTDCUOIKJKQQKV-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.34
Rot. Bonds10

About N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide

N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 3439444) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID3439444
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC NameN-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1N1CCC(C)CC1
InChIInChI=1S/C26H35N3O4/c1-4-33-17-5-14-27-26(31)23-18-21(8-11-24(23)29-15-12-19(2)13-16-29)28-25(30)20-6-9-22(32-3)10-7-20/h6-11,18-19H,4-5,12-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyFTDCUOIKJKQQKV-UHFFFAOYSA-N
XLogP4.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(propanoylamino)benzamide
CID 4027553
5-[(4-fluorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4587444
N-(3-ethoxypropyl)-5-[(3-methoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3573870
5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 7306724
N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3291960
5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756154
ethyl 2-[[3-(3-ethoxypropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]acetate
CID 3470484
2-(4-benzylpiperidin-1-yl)-5-[(4-butoxybenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 3371890
N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
CID 3960083
N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
CID 42662115
5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 4313980
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
CID 3341979

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide (CID 3439444) is N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide is CCOCCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1N1CCC(C)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is FTDCUOIKJKQQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-4-33-17-5-14-27-26(31)23-18-21(8-11-24(23)29-15-12-19(2)13-16-29)28-25(30)20-6-9-22(32-3)10-7-20/h6-11,18-19H,4-5,12-17H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 453.58 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 3439444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).