2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide

C20H24N4O3 — CID 120596188

IUPAC2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide
SMILESCN(C)CCn1c(=O)oc2ccc(NC(=O)C(C)(N)c3ccccc3)cc21
InChIInChI=1S/C20H24N4O3/c1-20(21,14-7-5-4-6-8-14)18(25)22-15-9-10-17-16(13-15)24(19(26)27-17)12-11-23(2)3/h4-10,13H,11-12,21H2,1-3H3,(H,22,25)
InChIKeyVBFGTTNIYYFOHC-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.97
Rot. Bonds6

About 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide

2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide (PubChem CID 120596188) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide
PubChem CID120596188
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide
SMILESCN(C)CCn1c(=O)oc2ccc(NC(=O)C(C)(N)c3ccccc3)cc21
InChIInChI=1S/C20H24N4O3/c1-20(21,14-7-5-4-6-8-14)18(25)22-15-9-10-17-16(13-15)24(19(26)27-17)12-11-23(2)3/h4-10,13H,11-12,21H2,1-3H3,(H,22,25)
InChIKeyVBFGTTNIYYFOHC-UHFFFAOYSA-N
XLogP1.97
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea
CID 51099669
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-4-fluoronaphthalene-1-carboxamide
CID 167894387
3-[2-(dimethylamino)ethyl]-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-1,3-benzoxazol-2-one
CID 166202142
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432562
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119869141
2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799357
2-(2-aminoethyl)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 120645695
4-(aminomethyl)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]oxane-4-carboxamide;dihydrochloride
CID 120940470
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide
CID 51128831
(2S,4S)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-methylpiperidine-4-carboxamide
CID 120634766
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide
CID 120596891
(2S,4S)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634765

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide (CID 120596188) is 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide is CN(C)CCn1c(=O)oc2ccc(NC(=O)C(C)(N)c3ccccc3)cc21.
What is the InChIKey of 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide?
The InChIKey is VBFGTTNIYYFOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(21,14-7-5-4-6-8-14)18(25)22-15-9-10-17-16(13-15)24(19(26)27-17)12-11-23(2)3/h4-10,13H,11-12,21H2,1-3H3,(H,22,25).
What are the key properties of 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide?
2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide has a molecular weight of 368.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-phenylpropanamide is sourced from PubChem (CID 120596188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).