(2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide

C19H21N3O2 — CID 157124408

IUPAC(2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(COc2ccc3[nH]ccc3c2)cc1)C(N)=O
InChIInChI=1S/C19H21N3O2/c1-13(19(20)23)22-11-14-2-4-15(5-3-14)12-24-17-6-7-18-16(10-17)8-9-21-18/h2-10,13,21-22H,11-12H2,1H3,(H2,20,23)/t13-/m0/s1
InChIKeyAIISVLAQNURZCN-ZDUSSCGKSA-N
MW323.40 g/mol
LogP2.71
Rot. Bonds7

About (2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide

(2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide (PubChem CID 157124408) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide
PubChem CID157124408
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(COc2ccc3[nH]ccc3c2)cc1)C(N)=O
InChIInChI=1S/C19H21N3O2/c1-13(19(20)23)22-11-14-2-4-15(5-3-14)12-24-17-6-7-18-16(10-17)8-9-21-18/h2-10,13,21-22H,11-12H2,1H3,(H2,20,23)/t13-/m0/s1
InChIKeyAIISVLAQNURZCN-ZDUSSCGKSA-N
XLogP2.71
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-5-yloxymethyl)phenol
CID 80641928
(2S)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 23625206
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
3-(1H-indol-5-yloxymethyl)benzamide
CID 80641446
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
CID 10490793
methyl (2S)-2-[3-(1H-indol-5-yl)propanoylamino]propanoate
CID 84598942
2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide
CID 22641884

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide (CID 157124408) is (2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide is C[C@H](NCc1ccc(COc2ccc3[nH]ccc3c2)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide?
The InChIKey is AIISVLAQNURZCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(19(20)23)22-11-14-2-4-15(5-3-14)12-24-17-6-7-18-16(10-17)8-9-21-18/h2-10,13,21-22H,11-12H2,1H3,(H2,20,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide?
(2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 157124408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).