(2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide

C24H29N3O3 — CID 67892234

IUPAC(2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC1(C)OC[C@H](NC(=O)[C@](C)(N)Cc2c[nH]c3ccccc23)[C@H](c2ccccc2)O1
InChIInChI=1S/C24H29N3O3/c1-23(2)29-15-20(21(30-23)16-9-5-4-6-10-16)27-22(28)24(3,25)13-17-14-26-19-12-8-7-11-18(17)19/h4-12,14,20-21,26H,13,15,25H2,1-3H3,(H,27,28)/t20-,21-,24+/m0/s1
InChIKeyGZJITRCPZYPTAW-AWRGLXIESA-N
MW407.51 g/mol
LogP3.44
Rot. Bonds5

About (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide

(2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide (PubChem CID 67892234) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide
PubChem CID67892234
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC1(C)OC[C@H](NC(=O)[C@](C)(N)Cc2c[nH]c3ccccc23)[C@H](c2ccccc2)O1
InChIInChI=1S/C24H29N3O3/c1-23(2)29-15-20(21(30-23)16-9-5-4-6-10-16)27-22(28)24(3,25)13-17-14-26-19-12-8-7-11-18(17)19/h4-12,14,20-21,26H,13,15,25H2,1-3H3,(H,27,28)/t20-,21-,24+/m0/s1
InChIKeyGZJITRCPZYPTAW-AWRGLXIESA-N
XLogP3.44
TPSA89.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide with MolForge

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Related Compounds

N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide
CID 22417241
methyl (2S)-2-amino-3-(1H-indol-3-yl)-2-(111C)methylpropanoate
CID 14066612
4-[[(2S)-2-amino-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid
CID 67671736
(2R)-2-amino-N-(furan-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 124638519
1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea
CID 1053006
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
CID 57218334
methyl (2S)-2-amino-2-(deuteriomethyl)-3-(1H-indol-3-yl)propanoate
CID 57296369
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
2-(1H-indol-3-yl)-N-(3-methoxycyclobutyl)acetamide
CID 104578428
diethyl 2-(1H-indol-3-ylmethyl)-2-methylpropanedioate
CID 12724509
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
prop-2-enyl 2-[[2-amino-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-methylpentanoate
CID 175106415

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide (CID 67892234) is (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide is CC1(C)OC[C@H](NC(=O)[C@](C)(N)Cc2c[nH]c3ccccc23)[C@H](c2ccccc2)O1.
What is the InChIKey of (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is GZJITRCPZYPTAW-AWRGLXIESA-N. The full InChI is InChI=1S/C24H29N3O3/c1-23(2)29-15-20(21(30-23)16-9-5-4-6-10-16)27-22(28)24(3,25)13-17-14-26-19-12-8-7-11-18(17)19/h4-12,14,20-21,26H,13,15,25H2,1-3H3,(H,27,28)/t20-,21-,24+/m0/s1.
What are the key properties of (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide?
(2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 407.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 67892234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).