N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide

C19H21N3O2 — CID 120885988

IUPACN-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C19H21N3O2/c20-11-13-22(12-10-15-6-2-1-3-7-15)19(23)14-17-16-8-4-5-9-18(16)24-21-17/h1-9H,10-14,20H2
InChIKeyLWIHAJQNLASPIR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.40
Rot. Bonds7

About N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide

N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 120885988) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID120885988
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C19H21N3O2/c20-11-13-22(12-10-15-6-2-1-3-7-15)19(23)14-17-16-8-4-5-9-18(16)24-21-17/h1-9H,10-14,20H2
InChIKeyLWIHAJQNLASPIR-UHFFFAOYSA-N
XLogP2.40
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 78855126
2-(1,2-benzoxazol-3-yl)-N,N-bis(2-methoxyethyl)acetamide
CID 86907964
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
CID 22519666
N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide
CID 120886672
N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide
CID 120886814
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-ethylamino]acetic acid
CID 54901072
2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide
CID 63391205
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772705
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide
CID 38283022
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide (CID 120885988) is N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide is NCCN(CCc1ccccc1)C(=O)Cc1noc2ccccc12.
What is the InChIKey of N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is LWIHAJQNLASPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-11-13-22(12-10-15-6-2-1-3-7-15)19(23)14-17-16-8-4-5-9-18(16)24-21-17/h1-9H,10-14,20H2.
What are the key properties of N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide?
N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 120885988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).