3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide

C24H34N4O2 — CID 139575044

IUPAC3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide
SMILESCCCCNc1cc(C(=O)NCCN2CCCCC2)cc(N)c1Oc1ccccc1
InChIInChI=1S/C24H34N4O2/c1-2-3-12-26-22-18-19(24(29)27-13-16-28-14-8-5-9-15-28)17-21(25)23(22)30-20-10-6-4-7-11-20/h4,6-7,10-11,17-18,26H,2-3,5,8-9,12-16,25H2,1H3,(H,27,29)
InChIKeyVXYZXTTUDPGKIP-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.49
Rot. Bonds10

About 3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide

3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 139575044) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID139575044
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide
SMILESCCCCNc1cc(C(=O)NCCN2CCCCC2)cc(N)c1Oc1ccccc1
InChIInChI=1S/C24H34N4O2/c1-2-3-12-26-22-18-19(24(29)27-13-16-28-14-8-5-9-15-28)17-21(25)23(22)30-20-10-6-4-7-11-20/h4,6-7,10-11,17-18,26H,2-3,5,8-9,12-16,25H2,1H3,(H,27,29)
InChIKeyVXYZXTTUDPGKIP-UHFFFAOYSA-N
XLogP4.49
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(butylamino)-N-ethyl-4-phenoxy-5-sulfamoylbenzamide
CID 46853783
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
3-aminosulfanyl-5-(butylamino)-4-phenoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 153349260
CID 131864336
CID 131864336
3-(anilinosulfonimidoyl)-5-(butylamino)-4-phenoxy-N-(3,3,3-trifluoropropyl)benzamide
CID 171512972
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
3-(butylamino)-5-(cyclopent-2-en-1-ylideneamino)-4-phenoxybenzoic acid
CID 91370976
3-(butylamino)-5-(tert-butylsulfamoyl)-4-phenoxybenzoic acid
CID 167435450
methyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate
CID 16657174
5-[[2-[4-(2-aminoethyl)piperazin-1-yl]ethylamino]-hydroxymethyl]-3-(butylamino)-2-phenoxybenzenesulfonamide
CID 91467354
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
3-(butylamino)-4-phenoxy-5-(sulfinoamino)benzenecarbothioic S-acid
CID 58033414

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide (CID 139575044) is 3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide is CCCCNc1cc(C(=O)NCCN2CCCCC2)cc(N)c1Oc1ccccc1.
What is the InChIKey of 3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is VXYZXTTUDPGKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-2-3-12-26-22-18-19(24(29)27-13-16-28-14-8-5-9-15-28)17-21(25)23(22)30-20-10-6-4-7-11-20/h4,6-7,10-11,17-18,26H,2-3,5,8-9,12-16,25H2,1H3,(H,27,29).
What are the key properties of 3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide?
3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 410.56 g/mol, XLogP of 4.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(butylamino)-4-phenoxy-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 139575044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).