2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide

C17H26N4O3 — CID 120800496

IUPAC2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
SMILESCN(C)CC(=O)Nc1ccc(NC(=O)C(N)C2CCOCC2)cc1
InChIInChI=1S/C17H26N4O3/c1-21(2)11-15(22)19-13-3-5-14(6-4-13)20-17(23)16(18)12-7-9-24-10-8-12/h3-6,12,16H,7-11,18H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGSLQSPCAYWLSSA-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.88
Rot. Bonds6

About 2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120800496) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
PubChem CID120800496
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
SMILESCN(C)CC(=O)Nc1ccc(NC(=O)C(N)C2CCOCC2)cc1
InChIInChI=1S/C17H26N4O3/c1-21(2)11-15(22)19-13-3-5-14(6-4-13)20-17(23)16(18)12-7-9-24-10-8-12/h3-6,12,16H,7-11,18H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGSLQSPCAYWLSSA-UHFFFAOYSA-N
XLogP0.88
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-bromophenyl)propanamide
CID 120788882
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
CID 119885345
2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788785
2-amino-N-[4-(4-ethoxyphenoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120783556
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799357

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide (CID 120800496) is 2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide is CN(C)CC(=O)Nc1ccc(NC(=O)C(N)C2CCOCC2)cc1.
What is the InChIKey of 2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is GSLQSPCAYWLSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-21(2)11-15(22)19-13-3-5-14(6-4-13)20-17(23)16(18)12-7-9-24-10-8-12/h3-6,12,16H,7-11,18H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120800496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).