2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide

C20H32N4O3 — CID 120788514

IUPAC2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide
SMILESCCN(CC)C(=O)Nc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1
InChIInChI=1S/C20H32N4O3/c1-4-24(5-2)20(26)23-17-8-6-15(7-9-17)14(3)22-19(25)18(21)16-10-12-27-13-11-16/h6-9,14,16,18H,4-5,10-13,21H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWWLXVBFQHPEKST-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.49
Rot. Bonds7

About 2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide

2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 120788514) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide
PubChem CID120788514
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide
SMILESCCN(CC)C(=O)Nc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1
InChIInChI=1S/C20H32N4O3/c1-4-24(5-2)20(26)23-17-8-6-15(7-9-17)14(3)22-19(25)18(21)16-10-12-27-13-11-16/h6-9,14,16,18H,4-5,10-13,21H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWWLXVBFQHPEKST-UHFFFAOYSA-N
XLogP2.49
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119295830
2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120785883
2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789057
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792135
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784279
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide (CID 120788514) is 2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide is CCN(CC)C(=O)Nc1ccc(C(C)NC(=O)C(N)C2CCOCC2)cc1.
What is the InChIKey of 2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is WWLXVBFQHPEKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-24(5-2)20(26)23-17-8-6-15(7-9-17)14(3)22-19(25)18(21)16-10-12-27-13-11-16/h6-9,14,16,18H,4-5,10-13,21H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 376.50 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120788514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).