2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide

C17H25N3O3 — CID 95584791

IUPAC2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide
SMILESCCO[C@@H](C(=O)N1CCCN(CC(N)=O)CC1)c1ccccc1
InChIInChI=1S/C17H25N3O3/c1-2-23-16(14-7-4-3-5-8-14)17(22)20-10-6-9-19(11-12-20)13-15(18)21/h3-5,7-8,16H,2,6,9-13H2,1H3,(H2,18,21)/t16-/m1/s1
InChIKeyRJPUXJQTWGGYIM-MRXNPFEDSA-N
MW319.41 g/mol
LogP0.78
Rot. Bonds6

About 2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide

2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 95584791) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide
PubChem CID95584791
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide
SMILESCCO[C@@H](C(=O)N1CCCN(CC(N)=O)CC1)c1ccccc1
InChIInChI=1S/C17H25N3O3/c1-2-23-16(14-7-4-3-5-8-14)17(22)20-10-6-9-19(11-12-20)13-15(18)21/h3-5,7-8,16H,2,6,9-13H2,1H3,(H2,18,21)/t16-/m1/s1
InChIKeyRJPUXJQTWGGYIM-MRXNPFEDSA-N
XLogP0.78
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone
CID 124593206
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxy-2-phenylethanone
CID 63310259
2-[4-(2-bromobutanoyl)-1,4-diazepan-1-yl]acetamide
CID 62855599
4-[4-(2-amino-2-oxoethyl)-1,4-diazepan-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497872
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119644444
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one
CID 43251729
2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 56820036
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
2-[4-[(2S)-2-[(3-methoxyphenyl)methoxy]propanoyl]-1,4-diazepan-1-yl]acetamide
CID 95584798
(2S)-2-amino-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 104897534
8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 95583523

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide (CID 95584791) is 2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide is CCO[C@@H](C(=O)N1CCCN(CC(N)=O)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is RJPUXJQTWGGYIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-23-16(14-7-4-3-5-8-14)17(22)20-10-6-9-19(11-12-20)13-15(18)21/h3-5,7-8,16H,2,6,9-13H2,1H3,(H2,18,21)/t16-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide?
2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 95584791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).