2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide

C17H26N4O3 — CID 56788768

IUPAC2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc(NC(=O)NCCN(C)C2CC2)c1
InChIInChI=1S/C17H26N4O3/c1-20(2)16(22)12-24-15-6-4-5-13(11-15)19-17(23)18-9-10-21(3)14-7-8-14/h4-6,11,14H,7-10,12H2,1-3H3,(H2,18,19,23)
InChIKeyCJPJMQUNUCRGIC-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.37
Rot. Bonds8

About 2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide

2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide (PubChem CID 56788768) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide
PubChem CID56788768
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc(NC(=O)NCCN(C)C2CC2)c1
InChIInChI=1S/C17H26N4O3/c1-20(2)16(22)12-24-15-6-4-5-13(11-15)19-17(23)18-9-10-21(3)14-7-8-14/h4-6,11,14H,7-10,12H2,1-3H3,(H2,18,19,23)
InChIKeyCJPJMQUNUCRGIC-UHFFFAOYSA-N
XLogP1.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119713905
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
(2S,5R)-5-(aminomethyl)-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 120786558
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
CID 52704348
7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
CID 119713892
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621139
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide (CID 56788768) is 2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1cccc(NC(=O)NCCN(C)C2CC2)c1.
What is the InChIKey of 2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide?
The InChIKey is CJPJMQUNUCRGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20(2)16(22)12-24-15-6-4-5-13(11-15)19-17(23)18-9-10-21(3)14-7-8-14/h4-6,11,14H,7-10,12H2,1-3H3,(H2,18,19,23).
What are the key properties of 2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide?
2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide has a molecular weight of 334.42 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 56788768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).