(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide

C18H27Cl2N3O2 — CID 97099429

IUPAC(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)[C@@H](C(=O)NCC(=O)NC(C)(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H27Cl2N3O2/c1-6-23(7-2)16(12-8-13(19)10-14(20)9-12)17(25)21-11-15(24)22-18(3,4)5/h8-10,16H,6-7,11H2,1-5H3,(H,21,25)(H,22,24)/t16-/m1/s1
InChIKeyMWMURQDEXXHRSA-MRXNPFEDSA-N
MW388.34 g/mol
LogP3.41
Rot. Bonds7

About (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide

(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide (PubChem CID 97099429) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide.

Molecular Properties

Compound Name(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide
PubChem CID97099429
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)[C@@H](C(=O)NCC(=O)NC(C)(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H27Cl2N3O2/c1-6-23(7-2)16(12-8-13(19)10-14(20)9-12)17(25)21-11-15(24)22-18(3,4)5/h8-10,16H,6-7,11H2,1-5H3,(H,21,25)(H,22,24)/t16-/m1/s1
InChIKeyMWMURQDEXXHRSA-MRXNPFEDSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide?
The IUPAC name of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide (CID 97099429) is (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide.
What is the SMILES notation for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide?
The canonical SMILES for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide is CCN(CC)[C@@H](C(=O)NCC(=O)NC(C)(C)C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide?
The InChIKey is MWMURQDEXXHRSA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27Cl2N3O2/c1-6-23(7-2)16(12-8-13(19)10-14(20)9-12)17(25)21-11-15(24)22-18(3,4)5/h8-10,16H,6-7,11H2,1-5H3,(H,21,25)(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide?
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide has a molecular weight of 388.34 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide is sourced from PubChem (CID 97099429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).