(7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide

C19H28N4O2 — CID 124850780

IUPAC(7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide
SMILESCOCCn1ccc2ccc(NC(=O)N3CCN(C)CC[C@H]3C)cc21
InChIInChI=1S/C19H28N4O2/c1-15-6-8-21(2)10-11-23(15)19(24)20-17-5-4-16-7-9-22(12-13-25-3)18(16)14-17/h4-5,7,9,14-15H,6,8,10-13H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyRBJWFNVCAPVDJM-OAHLLOKOSA-N
MW344.46 g/mol
LogP2.85
Rot. Bonds4

About (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide

(7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide (PubChem CID 124850780) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name(7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide
PubChem CID124850780
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide
SMILESCOCCn1ccc2ccc(NC(=O)N3CCN(C)CC[C@H]3C)cc21
InChIInChI=1S/C19H28N4O2/c1-15-6-8-21(2)10-11-23(15)19(24)20-17-5-4-16-7-9-22(12-13-25-3)18(16)14-17/h4-5,7,9,14-15H,6,8,10-13H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyRBJWFNVCAPVDJM-OAHLLOKOSA-N
XLogP2.85
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641099
N-[1-(2-methoxyethyl)indol-6-yl]hydroxylamine
CID 89109965
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
N-[1-(2-methoxyethyl)indol-6-yl]-2-(oxolan-2-ylmethoxy)propanamide
CID 75440615
(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
CID 125141718
1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea
CID 96518060
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 111474969
N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide
CID 71754680
N-(1-ethylindol-6-yl)pyrrolidine-1-carboxamide
CID 71874521

Frequently Asked Questions

What is the IUPAC name of (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide?
The IUPAC name of (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide (CID 124850780) is (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide is COCCn1ccc2ccc(NC(=O)N3CCN(C)CC[C@H]3C)cc21.
What is the InChIKey of (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide?
The InChIKey is RBJWFNVCAPVDJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-6-8-21(2)10-11-23(15)19(24)20-17-5-4-16-7-9-22(12-13-25-3)18(16)14-17/h4-5,7,9,14-15H,6,8,10-13H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide?
(7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[1-(2-methoxyethyl)indol-6-yl]-4,7-dimethyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 124850780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).