N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide

C18H27N3O3 — CID 120649496

IUPACN-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide
SMILESNCCCN(Cc1ccccc1)C(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c19-9-4-10-21(15-16-5-2-1-3-6-16)18(23)8-7-17(22)20-11-13-24-14-12-20/h1-3,5-6H,4,7-15,19H2
InChIKeyIPAIXGREYDZFPC-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.00
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide

N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 120649496) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide
PubChem CID120649496
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide
SMILESNCCCN(Cc1ccccc1)C(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c19-9-4-10-21(15-16-5-2-1-3-6-16)18(23)8-7-17(22)20-11-13-24-14-12-20/h1-3,5-6H,4,7-15,19H2
InChIKeyIPAIXGREYDZFPC-UHFFFAOYSA-N
XLogP1.00
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide
CID 3932380
N-(3-aminopropyl)-N-benzyl-2-(1-morpholin-4-ylcyclopentyl)acetamide
CID 120649063
N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide
CID 120648101
N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120649694
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-phenylpropyl)acetamide
CID 113165782
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide (CID 120649496) is N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide is NCCCN(Cc1ccccc1)C(=O)CCC(=O)N1CCOCC1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is IPAIXGREYDZFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c19-9-4-10-21(15-16-5-2-1-3-6-16)18(23)8-7-17(22)20-11-13-24-14-12-20/h1-3,5-6H,4,7-15,19H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide?
N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 333.43 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 120649496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).