2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide

C14H22N4O2 — CID 61092801

IUPAC2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
SMILESNc1ccc(C(=O)NCCCN2CCOCC2)c(N)c1
InChIInChI=1S/C14H22N4O2/c15-11-2-3-12(13(16)10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9,15-16H2,(H,17,19)
InChIKeyCCHVVOJCKLKZRI-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.30
Rot. Bonds5

About 2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide

2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 61092801) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID61092801
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
SMILESNc1ccc(C(=O)NCCCN2CCOCC2)c(N)c1
InChIInChI=1S/C14H22N4O2/c15-11-2-3-12(13(16)10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9,15-16H2,(H,17,19)
InChIKeyCCHVVOJCKLKZRI-UHFFFAOYSA-N
XLogP0.30
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.30
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

2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide (CID 61092801) is 2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide is Nc1ccc(C(=O)NCCCN2CCOCC2)c(N)c1.
What is the InChIKey of 2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is CCHVVOJCKLKZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-11-2-3-12(13(16)10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9,15-16H2,(H,17,19).
What are the key properties of 2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide?
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 278.36 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 61092801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).