3,5-diamino-N-(3-butoxypropyl)benzamide

C14H23N3O2 — CID 115597711

IUPAC3,5-diamino-N-(3-butoxypropyl)benzamide
SMILESCCCCOCCCNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H23N3O2/c1-2-3-6-19-7-4-5-17-14(18)11-8-12(15)10-13(16)9-11/h8-10H,2-7,15-16H2,1H3,(H,17,18)
InChIKeyMXAPVMSPWMCPMC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.79
Rot. Bonds8

About 3,5-diamino-N-(3-butoxypropyl)benzamide

3,5-diamino-N-(3-butoxypropyl)benzamide (PubChem CID 115597711) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3,5-diamino-N-(3-butoxypropyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(3-butoxypropyl)benzamide
PubChem CID115597711
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3,5-diamino-N-(3-butoxypropyl)benzamide
SMILESCCCCOCCCNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H23N3O2/c1-2-3-6-19-7-4-5-17-14(18)11-8-12(15)10-13(16)9-11/h8-10H,2-7,15-16H2,1H3,(H,17,18)
InChIKeyMXAPVMSPWMCPMC-UHFFFAOYSA-N
XLogP1.79
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-N-(3-butoxypropyl)-5-methoxybenzamide
CID 115597742
3-amino-5-bromo-N-(3-propoxypropyl)benzamide
CID 82949916
3,5-diamino-N-hexadecylbenzamide
CID 54469516
3,5-diamino-N-propylbenzamide
CID 20701636
3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
CID 113396113
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide
CID 171662867
N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186654
3-amino-N-(2-butoxyethyl)-4-methylbenzamide
CID 61169083
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
4-amino-N-(3-butoxypropyl)-3-nitrobenzamide
CID 27682777

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(3-butoxypropyl)benzamide?
The IUPAC name of 3,5-diamino-N-(3-butoxypropyl)benzamide (CID 115597711) is 3,5-diamino-N-(3-butoxypropyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(3-butoxypropyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(3-butoxypropyl)benzamide is CCCCOCCCNC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(3-butoxypropyl)benzamide?
The InChIKey is MXAPVMSPWMCPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-6-19-7-4-5-17-14(18)11-8-12(15)10-13(16)9-11/h8-10H,2-7,15-16H2,1H3,(H,17,18).
What are the key properties of 3,5-diamino-N-(3-butoxypropyl)benzamide?
3,5-diamino-N-(3-butoxypropyl)benzamide has a molecular weight of 265.36 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(3-butoxypropyl)benzamide is sourced from PubChem (CID 115597711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).