4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide

C19H30N4O3 — CID 24528511

IUPAC4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCN(CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H30N4O3/c1-19(2,3)21-17(24)14-22-10-7-11-23(13-12-22)18(25)20-15-8-5-6-9-16(15)26-4/h5-6,8-9H,7,10-14H2,1-4H3,(H,20,25)(H,21,24)
InChIKeyOFXAYHFRIWMTNA-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.15
Rot. Bonds4

About 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide

4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide (PubChem CID 24528511) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
PubChem CID24528511
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCN(CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H30N4O3/c1-19(2,3)21-17(24)14-22-10-7-11-23(13-12-22)18(25)20-15-8-5-6-9-16(15)26-4/h5-6,8-9H,7,10-14H2,1-4H3,(H,20,25)(H,21,24)
InChIKeyOFXAYHFRIWMTNA-UHFFFAOYSA-N
XLogP2.15
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(2-methoxyanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 166605682
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
4-[2-(2-chloroanilino)-2-oxoethyl]-N-[2-(difluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 74224697
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-tert-butyl-4-[2-(2-methoxyphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811866
N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 9078759

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide (CID 24528511) is 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide is COc1ccccc1NC(=O)N1CCCN(CC(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The InChIKey is OFXAYHFRIWMTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-19(2,3)21-17(24)14-22-10-7-11-23(13-12-22)18(25)20-15-8-5-6-9-16(15)26-4/h5-6,8-9H,7,10-14H2,1-4H3,(H,20,25)(H,21,24).
What are the key properties of 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide?
4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 24528511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).