N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide

C27H38N4O3 — CID 3992320

IUPACN-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)Nc2ccc(C(C)C)cc2)ccc1N1CCCCC1
InChIInChI=1S/C27H38N4O3/c1-4-34-18-8-15-28-26(32)24-19-23(13-14-25(24)31-16-6-5-7-17-31)30-27(33)29-22-11-9-21(10-12-22)20(2)3/h9-14,19-20H,4-8,15-18H2,1-3H3,(H,28,32)(H2,29,30,33)
InChIKeyQFPBVDGYHIITAQ-UHFFFAOYSA-N
MW466.63 g/mol
LogP5.60
Rot. Bonds10

About N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide

N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide (PubChem CID 3992320) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
PubChem CID3992320
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC NameN-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)Nc2ccc(C(C)C)cc2)ccc1N1CCCCC1
InChIInChI=1S/C27H38N4O3/c1-4-34-18-8-15-28-26(32)24-19-23(13-14-25(24)31-16-6-5-7-17-31)30-27(33)29-22-11-9-21(10-12-22)20(2)3/h9-14,19-20H,4-8,15-18H2,1-3H3,(H,28,32)(H2,29,30,33)
InChIKeyQFPBVDGYHIITAQ-UHFFFAOYSA-N
XLogP5.60
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 3895731
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3268817
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756351
5-[(2,6-dimethylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3883990
5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 42660675
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756162
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756154
N-(3-ethoxypropyl)-5-[(2-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3883995
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032
5-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3579642

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide (CID 3992320) is N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide is CCOCCCNC(=O)c1cc(NC(=O)Nc2ccc(C(C)C)cc2)ccc1N1CCCCC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide?
The InChIKey is QFPBVDGYHIITAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-4-34-18-8-15-28-26(32)24-19-23(13-14-25(24)31-16-6-5-7-17-31)30-27(33)29-22-11-9-21(10-12-22)20(2)3/h9-14,19-20H,4-8,15-18H2,1-3H3,(H,28,32)(H2,29,30,33).
What are the key properties of N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide?
N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide has a molecular weight of 466.63 g/mol, XLogP of 5.60, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 3992320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).