3-amino-N-(3-butoxypropyl)-4-propoxybenzamide

C17H28N2O3 — CID 110496597

IUPAC3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
SMILESCCCCOCCCNC(=O)c1ccc(OCCC)c(N)c1
InChIInChI=1S/C17H28N2O3/c1-3-5-11-21-12-6-9-19-17(20)14-7-8-16(15(18)13-14)22-10-4-2/h7-8,13H,3-6,9-12,18H2,1-2H3,(H,19,20)
InChIKeyGABBWRLFSWHKEL-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.99
Rot. Bonds11

About 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide

3-amino-N-(3-butoxypropyl)-4-propoxybenzamide (PubChem CID 110496597) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
PubChem CID110496597
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
SMILESCCCCOCCCNC(=O)c1ccc(OCCC)c(N)c1
InChIInChI=1S/C17H28N2O3/c1-3-5-11-21-12-6-9-19-17(20)14-7-8-16(15(18)13-14)22-10-4-2/h7-8,13H,3-6,9-12,18H2,1-2H3,(H,19,20)
InChIKeyGABBWRLFSWHKEL-UHFFFAOYSA-N
XLogP2.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
CID 93216779
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
3-amino-N-(2-butoxyethyl)-4-methylbenzamide
CID 61169083
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-amino-4-(2-butoxyethoxy)benzoic acid
CID 54888103
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
methyl 3-amino-4-propoxybenzoate
CID 43380309
4-amino-N-(3-butoxypropyl)-3-nitrobenzamide
CID 27682777
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
3-amino-4-butoxybenzamide
CID 43448596

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide?
The IUPAC name of 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide (CID 110496597) is 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide.
What is the SMILES notation for 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide?
The canonical SMILES for 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide is CCCCOCCCNC(=O)c1ccc(OCCC)c(N)c1.
What is the InChIKey of 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide?
The InChIKey is GABBWRLFSWHKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-3-5-11-21-12-6-9-19-17(20)14-7-8-16(15(18)13-14)22-10-4-2/h7-8,13H,3-6,9-12,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide?
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide has a molecular weight of 308.42 g/mol, XLogP of 2.99, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-butoxypropyl)-4-propoxybenzamide is sourced from PubChem (CID 110496597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).