2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide

C18H23N3O3 — CID 122143805

IUPAC2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide
SMILESCNC(=O)NCC(=O)NCc1c(OC(C)C)ccc2ccccc12
InChIInChI=1S/C18H23N3O3/c1-12(2)24-16-9-8-13-6-4-5-7-14(13)15(16)10-20-17(22)11-21-18(23)19-3/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyNWTZQEBENDCHGB-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.17
Rot. Bonds6

About 2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide

2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide (PubChem CID 122143805) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide
PubChem CID122143805
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide
SMILESCNC(=O)NCC(=O)NCc1c(OC(C)C)ccc2ccccc12
InChIInChI=1S/C18H23N3O3/c1-12(2)24-16-9-8-13-6-4-5-7-14(13)15(16)10-20-17(22)11-21-18(23)19-3/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyNWTZQEBENDCHGB-UHFFFAOYSA-N
XLogP2.17
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4R)-4-[(2-propan-2-yloxynaphthalen-1-yl)methylcarbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167926415
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
N,N'-bis[(2-propan-2-yloxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531928
N-methyl-2-(2-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550374
4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
CID 120559869
N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide
CID 52899329
2-propan-2-yloxynaphthalen-1-ol
CID 23272530
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide
CID 98784381
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119709365
2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54831154
4-[(2-ethoxynaphthalen-1-yl)methylamino]-4-oxobutanoate
CID 9151494

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide?
The IUPAC name of 2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide (CID 122143805) is 2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for 2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide is CNC(=O)NCC(=O)NCc1c(OC(C)C)ccc2ccccc12.
What is the InChIKey of 2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide?
The InChIKey is NWTZQEBENDCHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)24-16-9-8-13-6-4-5-7-14(13)15(16)10-20-17(22)11-21-18(23)19-3/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide?
2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 122143805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).