N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide

C23H27N3O2 — CID 35053989

IUPACN-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C23H27N3O2/c27-23(11-10-19-14-24-22-9-5-4-8-21(19)22)25-15-20-17-26(12-13-28-20)16-18-6-2-1-3-7-18/h1-9,14,20,24H,10-13,15-17H2,(H,25,27)/t20-/m1/s1
InChIKeyYOQIRFIKLDVOTB-HXUWFJFHSA-N
MW377.49 g/mol
LogP3.12
Rot. Bonds7

About N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide

N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 35053989) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
PubChem CID35053989
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C23H27N3O2/c27-23(11-10-19-14-24-22-9-5-4-8-21(19)22)25-15-20-17-26(12-13-28-20)16-18-6-2-1-3-7-18/h1-9,14,20,24H,10-13,15-17H2,(H,25,27)/t20-/m1/s1
InChIKeyYOQIRFIKLDVOTB-HXUWFJFHSA-N
XLogP3.12
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 39472754
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30531633
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 43064031
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55522516
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
2-(4-benzylmorpholin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 136512300
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide (CID 35053989) is N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is YOQIRFIKLDVOTB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-23(11-10-19-14-24-22-9-5-4-8-21(19)22)25-15-20-17-26(12-13-28-20)16-18-6-2-1-3-7-18/h1-9,14,20,24H,10-13,15-17H2,(H,25,27)/t20-/m1/s1.
What are the key properties of N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide?
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 377.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 35053989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).