4-(morpholin-3-ylmethylamino)benzamide

C12H17N3O2 — CID 103549364

IUPAC4-(morpholin-3-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCC2COCCN2)cc1
InChIInChI=1S/C12H17N3O2/c13-12(16)9-1-3-10(4-2-9)15-7-11-8-17-6-5-14-11/h1-4,11,14-15H,5-8H2,(H2,13,16)
InChIKeyPPGOLKIRXSWAQG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.19
Rot. Bonds4

About 4-(morpholin-3-ylmethylamino)benzamide

4-(morpholin-3-ylmethylamino)benzamide (PubChem CID 103549364) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(morpholin-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-(morpholin-3-ylmethylamino)benzamide
PubChem CID103549364
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(morpholin-3-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCC2COCCN2)cc1
InChIInChI=1S/C12H17N3O2/c13-12(16)9-1-3-10(4-2-9)15-7-11-8-17-6-5-14-11/h1-4,11,14-15H,5-8H2,(H2,13,16)
InChIKeyPPGOLKIRXSWAQG-UHFFFAOYSA-N
XLogP0.19
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(morpholin-3-ylmethylamino)pyridine-3-carboxamide
CID 103549173
morpholin-3-ylmethylurea
CID 103548775
4-(morpholin-3-ylmethylamino)-2-nitrobenzonitrile
CID 103549040
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237844
1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea
CID 103548785
3-methyl-N-(morpholin-3-ylmethyl)-4-nitroaniline
CID 103549104
4-(cyclobutylmethylamino)benzamide
CID 65459398
4-(pyrrolidin-2-ylmethylamino)benzoic acid
CID 106636873
N-(morpholin-3-ylmethyl)furan-3-carboxamide
CID 103548513
N-ethyl-6-(morpholin-3-ylmethylamino)pyridazine-3-carboxamide
CID 103549300
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-3-ylmethylamino)benzamide?
The IUPAC name of 4-(morpholin-3-ylmethylamino)benzamide (CID 103549364) is 4-(morpholin-3-ylmethylamino)benzamide.
What is the SMILES notation for 4-(morpholin-3-ylmethylamino)benzamide?
The canonical SMILES for 4-(morpholin-3-ylmethylamino)benzamide is NC(=O)c1ccc(NCC2COCCN2)cc1.
What is the InChIKey of 4-(morpholin-3-ylmethylamino)benzamide?
The InChIKey is PPGOLKIRXSWAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(16)9-1-3-10(4-2-9)15-7-11-8-17-6-5-14-11/h1-4,11,14-15H,5-8H2,(H2,13,16).
What are the key properties of 4-(morpholin-3-ylmethylamino)benzamide?
4-(morpholin-3-ylmethylamino)benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-3-ylmethylamino)benzamide is sourced from PubChem (CID 103549364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).