N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide

C13H17N3O3 — CID 43277404

IUPACN-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide
SMILESNC(=O)NC(=O)COc1ccccc1CNC1CC1
InChIInChI=1S/C13H17N3O3/c14-13(18)16-12(17)8-19-11-4-2-1-3-9(11)7-15-10-5-6-10/h1-4,10,15H,5-8H2,(H3,14,16,17,18)
InChIKeyCYGRJXVMEWMTHP-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.51
Rot. Bonds6

About N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide

N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide (PubChem CID 43277404) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide
PubChem CID43277404
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide
SMILESNC(=O)NC(=O)COc1ccccc1CNC1CC1
InChIInChI=1S/C13H17N3O3/c14-13(18)16-12(17)8-19-11-4-2-1-3-9(11)7-15-10-5-6-10/h1-4,10,15H,5-8H2,(H3,14,16,17,18)
InChIKeyCYGRJXVMEWMTHP-UHFFFAOYSA-N
XLogP0.51
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 115953806
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492439
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide
CID 63062382
N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053186
2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2164253
N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
N-cyclopropyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277358
2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 106484672
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
4-[(2-butoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509937

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide (CID 43277404) is N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide is NC(=O)NC(=O)COc1ccccc1CNC1CC1.
What is the InChIKey of N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide?
The InChIKey is CYGRJXVMEWMTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-13(18)16-12(17)8-19-11-4-2-1-3-9(11)7-15-10-5-6-10/h1-4,10,15H,5-8H2,(H3,14,16,17,18).
What are the key properties of N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide?
N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 43277404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).