N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide

C22H29N3O2 — CID 119897262

IUPACN-[3-(dibenzylamino)propyl]morpholine-3-carboxamide
SMILESO=C(NCCCN(Cc1ccccc1)Cc1ccccc1)C1COCCN1
InChIInChI=1S/C22H29N3O2/c26-22(21-18-27-15-13-23-21)24-12-7-14-25(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-6,8-11,21,23H,7,12-18H2,(H,24,26)
InChIKeyCKQSYIHEWLENLK-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.18
Rot. Bonds9

About N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide

N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide (PubChem CID 119897262) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dibenzylamino)propyl]morpholine-3-carboxamide
PubChem CID119897262
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[3-(dibenzylamino)propyl]morpholine-3-carboxamide
SMILESO=C(NCCCN(Cc1ccccc1)Cc1ccccc1)C1COCCN1
InChIInChI=1S/C22H29N3O2/c26-22(21-18-27-15-13-23-21)24-12-7-14-25(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-6,8-11,21,23H,7,12-18H2,(H,24,26)
InChIKeyCKQSYIHEWLENLK-UHFFFAOYSA-N
XLogP2.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide
CID 119883692
(3R)-N-[(2S)-2,3-diphenylpropyl]morpholine-3-carboxamide
CID 124699410
N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide
CID 119854546
N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride
CID 119901924
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
N-[2-(diethylamino)-3-phenylpropyl]morpholine-3-carboxamide
CID 119849942
N-[3-(4-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119757179
N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride
CID 119728906
N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119695885
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119741106

Frequently Asked Questions

What is the IUPAC name of N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide (CID 119897262) is N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide is O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)C1COCCN1.
What is the InChIKey of N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide?
The InChIKey is CKQSYIHEWLENLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-22(21-18-27-15-13-23-21)24-12-7-14-25(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-6,8-11,21,23H,7,12-18H2,(H,24,26).
What are the key properties of N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide?
N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide is sourced from PubChem (CID 119897262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).