N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide

C18H29N3O2 — CID 54839527

IUPACN-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
SMILESCCCCCCCNC(=O)CNc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C18H29N3O2/c1-3-5-6-7-8-13-20-17(22)14-21-16-11-9-15(10-12-16)18(23)19-4-2/h9-12,21H,3-8,13-14H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyLIQXMNZSFLASBS-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.93
Rot. Bonds11

About N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide

N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide (PubChem CID 54839527) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
PubChem CID54839527
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
SMILESCCCCCCCNC(=O)CNc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C18H29N3O2/c1-3-5-6-7-8-13-20-17(22)14-21-16-11-9-15(10-12-16)18(23)19-4-2/h9-12,21H,3-8,13-14H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyLIQXMNZSFLASBS-UHFFFAOYSA-N
XLogP2.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(hexylamino)benzamide
CID 43728484
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793
2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835584
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846255
N-pentyl-4-(propylamino)benzamide
CID 62185567
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
N-hexadecyl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835268
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
4-(butanoylamino)-N-hexylbenzamide
CID 3934901

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide (CID 54839527) is N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide is CCCCCCCNC(=O)CNc1ccc(C(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is LIQXMNZSFLASBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-5-6-7-8-13-20-17(22)14-21-16-11-9-15(10-12-16)18(23)19-4-2/h9-12,21H,3-8,13-14H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide?
N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 319.45 g/mol, XLogP of 2.93, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54839527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).