tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate

C20H25N3O4 — CID 51129923

IUPACtert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate
SMILESCNC(=O)CCNC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C20H25N3O4/c1-20(2,3)27-19(26)23-16-12-14-8-6-5-7-13(14)11-15(16)18(25)22-10-9-17(24)21-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWTKLAVCKHUGCFF-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.05
Rot. Bonds5

About tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate

tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate (PubChem CID 51129923) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate
PubChem CID51129923
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nametert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate
SMILESCNC(=O)CCNC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C20H25N3O4/c1-20(2,3)27-19(26)23-16-12-14-8-6-5-7-13(14)11-15(16)18(25)22-10-9-17(24)21-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWTKLAVCKHUGCFF-UHFFFAOYSA-N
XLogP3.05
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006
tert-butyl N-[3-(bromomethyl)naphthalen-2-yl]carbamate
CID 122220716
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate
CID 90291485
tert-butyl N-[3-[2-[(2-bromobenzoyl)amino]ethylamino]-3-oxopropyl]carbamate
CID 108537195
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
tert-butyl N-[3-oxo-3-[3-[(2-sulfanylbenzoyl)amino]propylamino]propyl]carbamate
CID 108921617
tert-butyl N-[3-[4-[(naphthalene-1-carbonylamino)methyl]anilino]-3-oxopropyl]carbamate
CID 108920522
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
methyl (2S)-2-(4-methylcyclohexyl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-2-carbonyl]amino]acetate
CID 131738625
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 57153097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate (CID 51129923) is tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate is CNC(=O)CCNC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate?
The InChIKey is WTKLAVCKHUGCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-20(2,3)27-19(26)23-16-12-14-8-6-5-7-13(14)11-15(16)18(25)22-10-9-17(24)21-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate?
tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate has a molecular weight of 371.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[3-(methylamino)-3-oxopropyl]carbamoyl]naphthalen-2-yl]carbamate is sourced from PubChem (CID 51129923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).